diff --git a/tests/estimator/acforce/vmc.fast.in.xml b/tests/estimator/acforce/vmc.fast.in.xml index c76b9ba5c2..e03d1520c8 100644 --- a/tests/estimator/acforce/vmc.fast.in.xml +++ b/tests/estimator/acforce/vmc.fast.in.xml @@ -51,7 +51,7 @@ - + @@ -496,9 +496,11 @@ 1.25722600000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 + + - - + + diff --git a/tests/estimator/acforce/vmc.legacy.in.xml b/tests/estimator/acforce/vmc.legacy.in.xml index 56d569d180..f51f2cc79e 100644 --- a/tests/estimator/acforce/vmc.legacy.in.xml +++ b/tests/estimator/acforce/vmc.legacy.in.xml @@ -51,7 +51,7 @@ - + @@ -496,9 +496,11 @@ 1.25722600000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 + + - - + + diff --git a/tests/estimator/latdev/vmc.xml b/tests/estimator/latdev/vmc.xml index 5433a7150a..ebcb6d33b6 100644 --- a/tests/estimator/latdev/vmc.xml +++ b/tests/estimator/latdev/vmc.xml @@ -45,14 +45,13 @@ - - - - - - - - + + + + + + + diff --git a/tests/estimator/skinetic/vmc.xml b/tests/estimator/skinetic/vmc.xml index ce96d52185..8b789bc4f4 100644 --- a/tests/estimator/skinetic/vmc.xml +++ b/tests/estimator/skinetic/vmc.xml @@ -38,14 +38,13 @@ - - - - - - - - + + + + + + + diff --git a/tests/estimator/sofk/allp_dat-h5.xml b/tests/estimator/sofk/allp_dat-h5.xml index c531707ebd..a637692cae 100644 --- a/tests/estimator/sofk/allp_dat-h5.xml +++ b/tests/estimator/sofk/allp_dat-h5.xml @@ -38,15 +38,14 @@ - - - - - - - - - + + + + + + + + diff --git a/tests/estimator/sofk/pbyp_dat-h5.xml b/tests/estimator/sofk/pbyp_dat-h5.xml index 4384ffd0c6..9c8399d5c8 100644 --- a/tests/estimator/sofk/pbyp_dat-h5.xml +++ b/tests/estimator/sofk/pbyp_dat-h5.xml @@ -38,16 +38,15 @@ - + + + + - - - - - - + + - + diff --git a/tests/heg/heg2d_4/deriv.xml b/tests/heg/heg2d_4/deriv.xml index bbf66de70d..7a6dcb5c58 100644 --- a/tests/heg/heg2d_4/deriv.xml +++ b/tests/heg/heg2d_4/deriv.xml @@ -35,9 +35,9 @@ - + - + diff --git a/tests/heg/heg2d_4/grad_lap.xml b/tests/heg/heg2d_4/grad_lap.xml index 42ee02a7ea..73e551cf16 100644 --- a/tests/heg/heg2d_4/grad_lap.xml +++ b/tests/heg/heg2d_4/grad_lap.xml @@ -35,9 +35,9 @@ - + - + diff --git a/tests/heg/heg_14_gamma/batch/deter-heg-SJ-batch.xml b/tests/heg/heg_14_gamma/batch/deter-heg-SJ-batch.xml index 9d36a6d9d9..de6ab2e1f1 100644 --- a/tests/heg/heg_14_gamma/batch/deter-heg-SJ-batch.xml +++ b/tests/heg/heg_14_gamma/batch/deter-heg-SJ-batch.xml @@ -24,9 +24,9 @@ - + - + diff --git a/tests/heg/heg_14_gamma/batch/deter-heg-SJB-batch.xml b/tests/heg/heg_14_gamma/batch/deter-heg-SJB-batch.xml index 312aa59422..54dbd2283f 100644 --- a/tests/heg/heg_14_gamma/batch/deter-heg-SJB-batch.xml +++ b/tests/heg/heg_14_gamma/batch/deter-heg-SJB-batch.xml @@ -24,9 +24,9 @@ - + - + diff --git a/tests/heg/heg_14_gamma/batch/short-heg-SJ-batch.xml b/tests/heg/heg_14_gamma/batch/short-heg-SJ-batch.xml index 2e313a1ebc..1f47dd67e1 100644 --- a/tests/heg/heg_14_gamma/batch/short-heg-SJ-batch.xml +++ b/tests/heg/heg_14_gamma/batch/short-heg-SJ-batch.xml @@ -23,9 +23,9 @@ - + - + diff --git a/tests/heg/heg_14_gamma/det_heg-short-SJB_opt.xml b/tests/heg/heg_14_gamma/det_heg-short-SJB_opt.xml index 8fd090e047..997dbdb978 100644 --- a/tests/heg/heg_14_gamma/det_heg-short-SJB_opt.xml +++ b/tests/heg/heg_14_gamma/det_heg-short-SJB_opt.xml @@ -9,9 +9,9 @@ Sample qmc run for Slater-Jastrow-Backflow HEG. - + - + diff --git a/tests/heg/heg_14_gamma/heg-long-SJ-new.xml b/tests/heg/heg_14_gamma/heg-long-SJ-new.xml index 1aa1c9aaf6..e16291dd2e 100644 --- a/tests/heg/heg_14_gamma/heg-long-SJ-new.xml +++ b/tests/heg/heg_14_gamma/heg-long-SJ-new.xml @@ -23,9 +23,9 @@ - + - + diff --git a/tests/heg/heg_14_gamma/heg-short-SJ-new.xml b/tests/heg/heg_14_gamma/heg-short-SJ-new.xml index c50e50c718..ce239a405d 100644 --- a/tests/heg/heg_14_gamma/heg-short-SJ-new.xml +++ b/tests/heg/heg_14_gamma/heg-short-SJ-new.xml @@ -23,9 +23,9 @@ - + - + diff --git a/tests/heg/heg_14_gamma/heg.ni.wfs.xml b/tests/heg/heg_14_gamma/heg.ni.wfs.xml index 87ce64ae73..00cc133597 100644 --- a/tests/heg/heg_14_gamma/heg.ni.wfs.xml +++ b/tests/heg/heg_14_gamma/heg.ni.wfs.xml @@ -1,9 +1,9 @@ - + - + diff --git a/tests/heg/heg_14_gamma/heg.sj.wfs.xml b/tests/heg/heg_14_gamma/heg.sj.wfs.xml index eea423f6d1..4d65c85102 100644 --- a/tests/heg/heg_14_gamma/heg.sj.wfs.xml +++ b/tests/heg/heg_14_gamma/heg.sj.wfs.xml @@ -1,9 +1,9 @@ - + - + diff --git a/tests/heg/heg_14_gamma/heg.sjb.wfs.xml b/tests/heg/heg_14_gamma/heg.sjb.wfs.xml index f720bbacda..21c0d1c41c 100644 --- a/tests/heg/heg_14_gamma/heg.sjb.wfs.xml +++ b/tests/heg/heg_14_gamma/heg.sjb.wfs.xml @@ -1,9 +1,9 @@ - + - + diff --git a/tests/heg/heg_54_J2rpa/det_heg.rpa.rs5.xml b/tests/heg/heg_54_J2rpa/det_heg.rpa.rs5.xml index 8f4c4ab469..74f58e3f32 100644 --- a/tests/heg/heg_54_J2rpa/det_heg.rpa.rs5.xml +++ b/tests/heg/heg_54_J2rpa/det_heg.rpa.rs5.xml @@ -23,9 +23,9 @@ xsi:noNamespaceSchemaLocation="http://www.mcc.uiuc.edu/qmc/schema/molecu.xsd"> - + - + diff --git a/tests/heg/heg_54_J2rpa/heg.rpa.rs5.xml b/tests/heg/heg_54_J2rpa/heg.rpa.rs5.xml index 438e59b00f..3ebf4cb4b8 100644 --- a/tests/heg/heg_54_J2rpa/heg.rpa.rs5.xml +++ b/tests/heg/heg_54_J2rpa/heg.rpa.rs5.xml @@ -23,9 +23,9 @@ xsi:noNamespaceSchemaLocation="http://www.mcc.uiuc.edu/qmc/schema/molecu.xsd"> - + - + diff --git a/tests/io/restart/qmc_short.in.xml b/tests/io/restart/qmc_short.in.xml index 768cb35a8d..a1fa1a3e79 100644 --- a/tests/io/restart/qmc_short.in.xml +++ b/tests/io/restart/qmc_short.in.xml @@ -39,14 +39,13 @@ - - - - - - - - + + + + + + + diff --git a/tests/io/restart/qmc_short.restart.xml b/tests/io/restart/qmc_short.restart.xml index 36911506bf..e086284db7 100644 --- a/tests/io/restart/qmc_short.restart.xml +++ b/tests/io/restart/qmc_short.restart.xml @@ -39,16 +39,15 @@ - + + + + - - - - - - + + - + diff --git a/tests/io/restart_batch/qmc_short_batch.in.xml b/tests/io/restart_batch/qmc_short_batch.in.xml index b0a27bea90..68948784f6 100644 --- a/tests/io/restart_batch/qmc_short_batch.in.xml +++ b/tests/io/restart_batch/qmc_short_batch.in.xml @@ -39,14 +39,13 @@ - + + + + - - - - - - + + diff --git a/tests/io/restart_batch/qmc_short_batch.restart.xml b/tests/io/restart_batch/qmc_short_batch.restart.xml index 602435259a..f54bdb59ed 100644 --- a/tests/io/restart_batch/qmc_short_batch.restart.xml +++ b/tests/io/restart_batch/qmc_short_batch.restart.xml @@ -39,16 +39,15 @@ - + + + + - - - - - - + + - + diff --git a/tests/io/restart_dmc/det_qmc_vmcbatch_dmcbatch_tm.in.xml b/tests/io/restart_dmc/det_qmc_vmcbatch_dmcbatch_tm.in.xml index fcea6078b0..a3c6f5a542 100644 --- a/tests/io/restart_dmc/det_qmc_vmcbatch_dmcbatch_tm.in.xml +++ b/tests/io/restart_dmc/det_qmc_vmcbatch_dmcbatch_tm.in.xml @@ -40,14 +40,13 @@ - + + + + - - - - - - + + diff --git a/tests/io/restart_dmc/det_qmc_vmcbatch_dmcbatch_tm.restart.xml b/tests/io/restart_dmc/det_qmc_vmcbatch_dmcbatch_tm.restart.xml index 1c23108eb7..6b45778536 100644 --- a/tests/io/restart_dmc/det_qmc_vmcbatch_dmcbatch_tm.restart.xml +++ b/tests/io/restart_dmc/det_qmc_vmcbatch_dmcbatch_tm.restart.xml @@ -40,14 +40,13 @@ - + + + + - - - - - - + + diff --git a/tests/io/restart_dmc_disable_branching/det_qmc_vmcbatch_dmcbatch_tm.in.xml b/tests/io/restart_dmc_disable_branching/det_qmc_vmcbatch_dmcbatch_tm.in.xml index 343ce7f940..56d3789652 100644 --- a/tests/io/restart_dmc_disable_branching/det_qmc_vmcbatch_dmcbatch_tm.in.xml +++ b/tests/io/restart_dmc_disable_branching/det_qmc_vmcbatch_dmcbatch_tm.in.xml @@ -40,14 +40,13 @@ - + + + + - - - - - - + + diff --git a/tests/io/restart_dmc_disable_branching/det_qmc_vmcbatch_dmcbatch_tm.restart.xml b/tests/io/restart_dmc_disable_branching/det_qmc_vmcbatch_dmcbatch_tm.restart.xml index 7f07d32af9..097276c27a 100644 --- a/tests/io/restart_dmc_disable_branching/det_qmc_vmcbatch_dmcbatch_tm.restart.xml +++ b/tests/io/restart_dmc_disable_branching/det_qmc_vmcbatch_dmcbatch_tm.restart.xml @@ -40,14 +40,13 @@ - + + + + - - - - - - + + diff --git a/tests/io/save_spline_coefs/qmc_short.in.xml b/tests/io/save_spline_coefs/qmc_short.in.xml index 5fa818c458..30b32febbb 100644 --- a/tests/io/save_spline_coefs/qmc_short.in.xml +++ b/tests/io/save_spline_coefs/qmc_short.in.xml @@ -39,14 +39,13 @@ - + + + + - - - - - - + + diff --git a/tests/io/save_spline_coefs/qmc_short.restart.xml b/tests/io/save_spline_coefs/qmc_short.restart.xml index e787cb3692..c0d9d608a7 100644 --- a/tests/io/save_spline_coefs/qmc_short.restart.xml +++ b/tests/io/save_spline_coefs/qmc_short.restart.xml @@ -39,14 +39,13 @@ - + + + + - - - - - - + + diff --git a/tests/molecules/C2_pp/C2-H5-msd_no_precompute.wfj.xml b/tests/molecules/C2_pp/C2-H5-msd_no_precompute.wfj.xml index 8df3373c09..c792af8d61 100644 --- a/tests/molecules/C2_pp/C2-H5-msd_no_precompute.wfj.xml +++ b/tests/molecules/C2_pp/C2-H5-msd_no_precompute.wfj.xml @@ -1,7 +1,7 @@ - + @@ -10,6 +10,8 @@ + + diff --git a/tests/molecules/C2_pp/C2-H5.wfj.xml b/tests/molecules/C2_pp/C2-H5.wfj.xml index a39f6a1baa..ccc9d998c4 100644 --- a/tests/molecules/C2_pp/C2-H5.wfj.xml +++ b/tests/molecules/C2_pp/C2-H5.wfj.xml @@ -1,7 +1,7 @@ - + @@ -10,6 +10,8 @@ + + diff --git a/tests/molecules/C2_pp/C2-XML-traditional.wfj.xml b/tests/molecules/C2_pp/C2-XML-traditional.wfj.xml index d52d7d5c77..1330c4c05c 100644 --- a/tests/molecules/C2_pp/C2-XML-traditional.wfj.xml +++ b/tests/molecules/C2_pp/C2-XML-traditional.wfj.xml @@ -1,7 +1,7 @@ - + @@ -2032,6 +2032,8 @@ -1.28743930125113e-16 -3.76954572147948e-01 1.06041975120797e-15 3.72886558301529e-16 + + diff --git a/tests/molecules/C2_pp/C2-XML.wfj.xml b/tests/molecules/C2_pp/C2-XML.wfj.xml index 78520bee6f..94381b502c 100644 --- a/tests/molecules/C2_pp/C2-XML.wfj.xml +++ b/tests/molecules/C2_pp/C2-XML.wfj.xml @@ -1,7 +1,7 @@ - + @@ -2032,6 +2032,8 @@ -1.28743930125113e-16 -3.76954572147948e-01 1.06041975120797e-15 3.72886558301529e-16 + + diff --git a/tests/molecules/C4_ae/C4_AE_Mol_QP_Excited.wfnoj.xml b/tests/molecules/C4_ae/C4_AE_Mol_QP_Excited.wfnoj.xml index 4422b71f8b..05117fdb66 100644 --- a/tests/molecules/C4_ae/C4_AE_Mol_QP_Excited.wfnoj.xml +++ b/tests/molecules/C4_ae/C4_AE_Mol_QP_Excited.wfnoj.xml @@ -1,15 +1,17 @@ - + - + + + diff --git a/tests/molecules/C4_ae/SD-C4_AE_Mol_QP.wfnoj.xml b/tests/molecules/C4_ae/SD-C4_AE_Mol_QP.wfnoj.xml index b8b9fa3908..3d2d197f22 100644 --- a/tests/molecules/C4_ae/SD-C4_AE_Mol_QP.wfnoj.xml +++ b/tests/molecules/C4_ae/SD-C4_AE_Mol_QP.wfnoj.xml @@ -1,17 +1,21 @@ - - - + + - - - + + + - - + + + + + + + diff --git a/tests/molecules/C4_ae/SD-C4_AE_Mol_large_QP.wfnoj.xml b/tests/molecules/C4_ae/SD-C4_AE_Mol_large_QP.wfnoj.xml index e9e64ddd44..c82dbe54b2 100644 --- a/tests/molecules/C4_ae/SD-C4_AE_Mol_large_QP.wfnoj.xml +++ b/tests/molecules/C4_ae/SD-C4_AE_Mol_large_QP.wfnoj.xml @@ -10,8 +10,8 @@ - - + + diff --git a/tests/molecules/CHN_ae/CHN.wfj.xml b/tests/molecules/CHN_ae/CHN.wfj.xml index ec23133fd0..6fb1fbe28c 100644 --- a/tests/molecules/CHN_ae/CHN.wfj.xml +++ b/tests/molecules/CHN_ae/CHN.wfj.xml @@ -1,16 +1,20 @@ - - - + + - - + + - + + + + + + diff --git a/tests/molecules/Co_L2/det_dmc_L2_diff.in.xml b/tests/molecules/Co_L2/det_dmc_L2_diff.in.xml index 11a53e2d0c..4355302782 100644 --- a/tests/molecules/Co_L2/det_dmc_L2_diff.in.xml +++ b/tests/molecules/Co_L2/det_dmc_L2_diff.in.xml @@ -32,17 +32,21 @@ - - - - - - - - - - - + + + + + + + + + + + + + + + diff --git a/tests/molecules/Co_L2/det_dmc_std_diff.in.xml b/tests/molecules/Co_L2/det_dmc_std_diff.in.xml index 16009a27e6..7b3b48cca3 100644 --- a/tests/molecules/Co_L2/det_dmc_std_diff.in.xml +++ b/tests/molecules/Co_L2/det_dmc_std_diff.in.xml @@ -32,17 +32,21 @@ - - - - - - - - - - - + + + + + + + + + + + + + + + diff --git a/tests/molecules/FeCO6_b3lyp_gms/FeCO6.wfnoj.xml b/tests/molecules/FeCO6_b3lyp_gms/FeCO6.wfnoj.xml index fe46374108..3b469978ba 100644 --- a/tests/molecules/FeCO6_b3lyp_gms/FeCO6.wfnoj.xml +++ b/tests/molecules/FeCO6_b3lyp_gms/FeCO6.wfnoj.xml @@ -1,17 +1,21 @@ - - - + + - - + + - - + + + + + + + diff --git a/tests/molecules/FeCO6_b3lyp_pyscf/FeCO6.wfnoj.xml b/tests/molecules/FeCO6_b3lyp_pyscf/FeCO6.wfnoj.xml index 673b60d331..002ff81874 100644 --- a/tests/molecules/FeCO6_b3lyp_pyscf/FeCO6.wfnoj.xml +++ b/tests/molecules/FeCO6_b3lyp_pyscf/FeCO6.wfnoj.xml @@ -1,17 +1,21 @@ - - - - + + + - - + + - - + + + + + + + diff --git a/tests/molecules/H2O_dimer_sep_pp/H2O.wfs.xml b/tests/molecules/H2O_dimer_sep_pp/H2O.wfs.xml index 2c67d2c2d5..2f15b37431 100644 --- a/tests/molecules/H2O_dimer_sep_pp/H2O.wfs.xml +++ b/tests/molecules/H2O_dimer_sep_pp/H2O.wfs.xml @@ -1,7 +1,7 @@ - + @@ -73,8 +73,7 @@ - - + 8.56319000000000e-01 -1.06750000000000e-02 -9.24550000000000e-02 0.00000000000000e+00 @@ -237,9 +236,9 @@ 2.54780000000000e-02 0.00000000000000e+00 0.00000000000000e+00 3.28770000000000e-02 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 -5.33000000000000e-03 -3.45700000000000e-03 0.00000000000000e+00 - - - + + + 8.56319000000000e-01 -1.06750000000000e-02 -9.24550000000000e-02 0.00000000000000e+00 @@ -402,8 +401,13 @@ 2.54780000000000e-02 0.00000000000000e+00 0.00000000000000e+00 3.28770000000000e-02 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 -5.33000000000000e-03 -3.45700000000000e-03 0.00000000000000e+00 - - + + + + + + + diff --git a/tests/molecules/H2_ae/h2.wfn.xml b/tests/molecules/H2_ae/h2.wfn.xml index 81278cb4c5..f403debbb7 100644 --- a/tests/molecules/H2_ae/h2.wfn.xml +++ b/tests/molecules/H2_ae/h2.wfn.xml @@ -2,7 +2,7 @@ - + @@ -34,11 +34,6 @@ - - - - - @@ -468,8 +463,13 @@ 0.00000000000000e+00 1.68215400000000e+00 5.97314000000000e-01 5.97314000000000e-01 -1.19462800000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 - - + + + + + + + diff --git a/tests/molecules/H2_ae/h2.wfn_spindepjas.xml b/tests/molecules/H2_ae/h2.wfn_spindepjas.xml index c0043d12c2..076f3ef676 100644 --- a/tests/molecules/H2_ae/h2.wfn_spindepjas.xml +++ b/tests/molecules/H2_ae/h2.wfn_spindepjas.xml @@ -2,7 +2,7 @@ - + @@ -34,11 +34,6 @@ - - - - - @@ -468,8 +463,13 @@ 0.00000000000000e+00 1.68215400000000e+00 5.97314000000000e-01 5.97314000000000e-01 -1.19462800000000e+00 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 - - + + + + + + + diff --git a/tests/molecules/H4_ae/H4.wfs.xml b/tests/molecules/H4_ae/H4.wfs.xml index 293f281373..839cf3fc95 100644 --- a/tests/molecules/H4_ae/H4.wfs.xml +++ b/tests/molecules/H4_ae/H4.wfs.xml @@ -1,7 +1,7 @@ - + @@ -35,6 +35,8 @@ 1.03323500000000e+00 -8.77213000000000e-01 -3.90492000000000e-01 2.12318000000000e-01 + + diff --git a/tests/molecules/H4_ae/H4.wfs_2.xml b/tests/molecules/H4_ae/H4.wfs_2.xml index 1d7d6c6759..dfcfc3d971 100644 --- a/tests/molecules/H4_ae/H4.wfs_2.xml +++ b/tests/molecules/H4_ae/H4.wfs_2.xml @@ -1,7 +1,7 @@ - + @@ -36,9 +36,11 @@ 0.2 0.0 0.0 0.0 + + - - + + diff --git a/tests/molecules/H4_ae/H4.wfs_2_RHF.xml b/tests/molecules/H4_ae/H4.wfs_2_RHF.xml index 6da53f5961..f8612562c2 100644 --- a/tests/molecules/H4_ae/H4.wfs_2_RHF.xml +++ b/tests/molecules/H4_ae/H4.wfs_2_RHF.xml @@ -1,7 +1,7 @@ - + @@ -24,9 +24,11 @@ 0.2 0.0 0.0 0.0 + + - - + + diff --git a/tests/molecules/H4_ae/H4.wfs_3.xml b/tests/molecules/H4_ae/H4.wfs_3.xml index 0769f8c286..31696fcdba 100644 --- a/tests/molecules/H4_ae/H4.wfs_3.xml +++ b/tests/molecules/H4_ae/H4.wfs_3.xml @@ -1,7 +1,7 @@ - + @@ -24,9 +24,11 @@ -6.2352e-02 1.5072e-02 8.3825e-02 -2.4339e-02 + + - - + + diff --git a/tests/molecules/H4_ae/H4.wfs_j123.xml b/tests/molecules/H4_ae/H4.wfs_j123.xml index df4d2d1692..40eb9deabd 100644 --- a/tests/molecules/H4_ae/H4.wfs_j123.xml +++ b/tests/molecules/H4_ae/H4.wfs_j123.xml @@ -1,7 +1,7 @@ - + @@ -35,6 +35,8 @@ 1.03323500000000e+00 -8.77213000000000e-01 -3.90492000000000e-01 2.12318000000000e-01 + + diff --git a/tests/molecules/H4_ae/H4_cjs.wfs.xml b/tests/molecules/H4_ae/H4_cjs.wfs.xml index 382d9a96f7..fef357a31a 100644 --- a/tests/molecules/H4_ae/H4_cjs.wfs.xml +++ b/tests/molecules/H4_ae/H4_cjs.wfs.xml @@ -43,7 +43,7 @@ - + @@ -198,11 +198,6 @@ - - - - - @@ -8613,6 +8608,13 @@ 2.48767031029000e-04 4.67518193591000e-04 0.00000000000000e+00 0.00000000000000e+00 + + + + + + + diff --git a/tests/molecules/H4_msd_ae/H4.wfn.xml b/tests/molecules/H4_msd_ae/H4.wfn.xml index 9b7886250c..1fa7c5fc42 100644 --- a/tests/molecules/H4_msd_ae/H4.wfn.xml +++ b/tests/molecules/H4_msd_ae/H4.wfn.xml @@ -1,7 +1,7 @@ - + @@ -41,6 +41,8 @@ 0.0 0.0 0.0 0.0 0.0 0.0 + + diff --git a/tests/molecules/H_positron/det_qmc-SD-H_Ground.in.xml b/tests/molecules/H_positron/det_qmc-SD-H_Ground.in.xml index 4838e38637..bce1704e4c 100644 --- a/tests/molecules/H_positron/det_qmc-SD-H_Ground.in.xml +++ b/tests/molecules/H_positron/det_qmc-SD-H_Ground.in.xml @@ -45,9 +45,9 @@ - - - + + + diff --git a/tests/molecules/H_positron/det_qmc_vmcbatch-SD-H_Ground.in.xml b/tests/molecules/H_positron/det_qmc_vmcbatch-SD-H_Ground.in.xml index 40816dc201..de832a3127 100644 --- a/tests/molecules/H_positron/det_qmc_vmcbatch-SD-H_Ground.in.xml +++ b/tests/molecules/H_positron/det_qmc_vmcbatch-SD-H_Ground.in.xml @@ -47,9 +47,9 @@ - - - + + + diff --git a/tests/molecules/H_positron/qmc_short-SD-H_Ground.in.xml b/tests/molecules/H_positron/qmc_short-SD-H_Ground.in.xml index 7b1aa1965c..ec7dd23d70 100644 --- a/tests/molecules/H_positron/qmc_short-SD-H_Ground.in.xml +++ b/tests/molecules/H_positron/qmc_short-SD-H_Ground.in.xml @@ -44,9 +44,9 @@ - - - + + + diff --git a/tests/molecules/H_positron/qmc_short_vmcbatch-SD-H_Ground.in.xml b/tests/molecules/H_positron/qmc_short_vmcbatch-SD-H_Ground.in.xml index 7aa1ff452d..54b585ab41 100644 --- a/tests/molecules/H_positron/qmc_short_vmcbatch-SD-H_Ground.in.xml +++ b/tests/molecules/H_positron/qmc_short_vmcbatch-SD-H_Ground.in.xml @@ -46,9 +46,9 @@ - - - + + + diff --git a/tests/molecules/He_ae/det_He_opt.xml b/tests/molecules/He_ae/det_He_opt.xml index 0a8c941e2e..10417a538e 100644 --- a/tests/molecules/He_ae/det_He_opt.xml +++ b/tests/molecules/He_ae/det_He_opt.xml @@ -38,18 +38,22 @@ - + - + + + - + + + - - + + diff --git a/tests/molecules/He_ae/det_He_opt_batch.xml b/tests/molecules/He_ae/det_He_opt_batch.xml index 1b3689f177..a8b119d632 100644 --- a/tests/molecules/He_ae/det_He_opt_batch.xml +++ b/tests/molecules/He_ae/det_He_opt_batch.xml @@ -38,18 +38,22 @@ - + - + + + - + + + - - + + diff --git a/tests/molecules/He_ae/det_He_opt_batch_mwalkers.xml b/tests/molecules/He_ae/det_He_opt_batch_mwalkers.xml index 71a9c0f686..3fc4f48f87 100644 --- a/tests/molecules/He_ae/det_He_opt_batch_mwalkers.xml +++ b/tests/molecules/He_ae/det_He_opt_batch_mwalkers.xml @@ -38,18 +38,22 @@ - + - + + + - + + + - - + + diff --git a/tests/molecules/He_ae/det_He_opt_mwalkers.xml b/tests/molecules/He_ae/det_He_opt_mwalkers.xml index 3ee3efb534..52ac4c326a 100644 --- a/tests/molecules/He_ae/det_He_opt_mwalkers.xml +++ b/tests/molecules/He_ae/det_He_opt_mwalkers.xml @@ -38,18 +38,22 @@ - + - + + + - + + + - - + + diff --git a/tests/molecules/Li2_STO_ae/Li2.STO.long.in.xml b/tests/molecules/Li2_STO_ae/Li2.STO.long.in.xml index cfa61b6002..8549548bfb 100644 --- a/tests/molecules/Li2_STO_ae/Li2.STO.long.in.xml +++ b/tests/molecules/Li2_STO_ae/Li2.STO.long.in.xml @@ -47,30 +47,34 @@ 0.821683 - - - - - - - - - - - + + 0.606630 1.0 0.0 0.061592 0.606630 1.0 0.0 -0.061592 0.603086 1.0 0.0 2.946e-3 -0.603086 -1.0 0.0 2.946e-3 0.104957 0.0 1.0 0.305729 0.104957 0.0 1.0 -0.305729 - - + + 0.606630 1.0 0.0 0.061592 0.606630 1.0 0.0 -0.061592 0.603086 1.0 0.0 2.946e-3 -0.603086 -1.0 0.0 2.946e-3 0.104957 0.0 1.0 0.305729 0.104957 0.0 1.0 -0.305729 - + + + + + + + + + + + + + + diff --git a/tests/molecules/Li2_STO_ae/Li2.STO.short.in.xml b/tests/molecules/Li2_STO_ae/Li2.STO.short.in.xml index 96f25832c1..bb45a93dd5 100644 --- a/tests/molecules/Li2_STO_ae/Li2.STO.short.in.xml +++ b/tests/molecules/Li2_STO_ae/Li2.STO.short.in.xml @@ -47,30 +47,34 @@ 0.821683 - - - - - - - - - - - + + 0.606630 1.0 0.0 0.061592 0.606630 1.0 0.0 -0.061592 0.603086 1.0 0.0 2.946e-3 -0.603086 -1.0 0.0 2.946e-3 0.104957 0.0 1.0 0.305729 0.104957 0.0 1.0 -0.305729 - - + + 0.606630 1.0 0.0 0.061592 0.606630 1.0 0.0 -0.061592 0.603086 1.0 0.0 2.946e-3 -0.603086 -1.0 0.0 2.946e-3 0.104957 0.0 1.0 0.305729 0.104957 0.0 1.0 -0.305729 - + + + + + + + + + + + + + + diff --git a/tests/molecules/LiH_ae_MSD/LiH.wfj.xml b/tests/molecules/LiH_ae_MSD/LiH.wfj.xml index e94f23fbc7..11f5bf5742 100644 --- a/tests/molecules/LiH_ae_MSD/LiH.wfj.xml +++ b/tests/molecules/LiH_ae_MSD/LiH.wfj.xml @@ -1,7 +1,7 @@ - + @@ -10,6 +10,8 @@ + + diff --git a/tests/molecules/LiH_ae_MSD/LiH.wfnoj.xml b/tests/molecules/LiH_ae_MSD/LiH.wfnoj.xml index ba4d1c7df1..6017a3fc5c 100644 --- a/tests/molecules/LiH_ae_MSD/LiH.wfnoj.xml +++ b/tests/molecules/LiH_ae_MSD/LiH.wfnoj.xml @@ -1,7 +1,7 @@ - + @@ -10,6 +10,8 @@ + + diff --git a/tests/molecules/LiH_ae_gms/vmc_long_noj.in.xml b/tests/molecules/LiH_ae_gms/vmc_long_noj.in.xml index 11412f1b19..872080355a 100644 --- a/tests/molecules/LiH_ae_gms/vmc_long_noj.in.xml +++ b/tests/molecules/LiH_ae_gms/vmc_long_noj.in.xml @@ -63,7 +63,7 @@ PROPERTY VALUES FOR THE ROHF SELF-CONSISTENT FIELD WAVEFUNCTION - + @@ -199,9 +199,9 @@ PROPERTY VALUES FOR THE ROHF SELF-CONSISTENT FIELD WAVEFUNCTION - - - + + + 8.960260000000e-01 1.766000000000e-03 1.434860000000e-01 4.391000000000e-03 @@ -6112,8 +6112,8 @@ PROPERTY VALUES FOR THE ROHF SELF-CONSISTENT FIELD WAVEFUNCTION 2.950800000000e-02 2.950800000000e-02 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 - - + + 8.960260000000e-01 1.766000000000e-03 1.434860000000e-01 4.391000000000e-03 @@ -12024,9 +12024,14 @@ PROPERTY VALUES FOR THE ROHF SELF-CONSISTENT FIELD WAVEFUNCTION 2.950800000000e-02 2.950800000000e-02 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 - - - + + + + + + + + diff --git a/tests/molecules/LiH_ae_gms/vmc_noj_edens_vor_long.in.xml b/tests/molecules/LiH_ae_gms/vmc_noj_edens_vor_long.in.xml index 184329f7f7..d03c0ec868 100644 --- a/tests/molecules/LiH_ae_gms/vmc_noj_edens_vor_long.in.xml +++ b/tests/molecules/LiH_ae_gms/vmc_noj_edens_vor_long.in.xml @@ -63,7 +63,7 @@ PROPERTY VALUES FOR THE ROHF SELF-CONSISTENT FIELD WAVEFUNCTION - + @@ -200,8 +200,7 @@ PROPERTY VALUES FOR THE ROHF SELF-CONSISTENT FIELD WAVEFUNCTION - - + 8.960260000000e-01 1.766000000000e-03 1.434860000000e-01 4.391000000000e-03 @@ -6112,8 +6111,8 @@ PROPERTY VALUES FOR THE ROHF SELF-CONSISTENT FIELD WAVEFUNCTION 2.950800000000e-02 2.950800000000e-02 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 - - + + 8.960260000000e-01 1.766000000000e-03 1.434860000000e-01 4.391000000000e-03 @@ -12024,7 +12023,12 @@ PROPERTY VALUES FOR THE ROHF SELF-CONSISTENT FIELD WAVEFUNCTION 2.950800000000e-02 2.950800000000e-02 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 - + + + + + + diff --git a/tests/molecules/LiH_ae_gms/vmc_noj_edens_vor_short.in.xml b/tests/molecules/LiH_ae_gms/vmc_noj_edens_vor_short.in.xml index 1eee079913..621dfca8aa 100644 --- a/tests/molecules/LiH_ae_gms/vmc_noj_edens_vor_short.in.xml +++ b/tests/molecules/LiH_ae_gms/vmc_noj_edens_vor_short.in.xml @@ -63,7 +63,7 @@ PROPERTY VALUES FOR THE ROHF SELF-CONSISTENT FIELD WAVEFUNCTION - + @@ -200,8 +200,7 @@ PROPERTY VALUES FOR THE ROHF SELF-CONSISTENT FIELD WAVEFUNCTION - - + 8.960260000000e-01 1.766000000000e-03 1.434860000000e-01 4.391000000000e-03 @@ -6112,8 +6111,8 @@ PROPERTY VALUES FOR THE ROHF SELF-CONSISTENT FIELD WAVEFUNCTION 2.950800000000e-02 2.950800000000e-02 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 - - + + 8.960260000000e-01 1.766000000000e-03 1.434860000000e-01 4.391000000000e-03 @@ -12024,7 +12023,12 @@ PROPERTY VALUES FOR THE ROHF SELF-CONSISTENT FIELD WAVEFUNCTION 2.950800000000e-02 2.950800000000e-02 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 - + + + + + + diff --git a/tests/molecules/LiH_ae_gms/vmc_short_noj.in.xml b/tests/molecules/LiH_ae_gms/vmc_short_noj.in.xml index 4a0dfb2ac6..98380ec510 100644 --- a/tests/molecules/LiH_ae_gms/vmc_short_noj.in.xml +++ b/tests/molecules/LiH_ae_gms/vmc_short_noj.in.xml @@ -63,7 +63,7 @@ PROPERTY VALUES FOR THE ROHF SELF-CONSISTENT FIELD WAVEFUNCTION - + @@ -199,9 +199,9 @@ PROPERTY VALUES FOR THE ROHF SELF-CONSISTENT FIELD WAVEFUNCTION - - - + + + 8.960260000000e-01 1.766000000000e-03 1.434860000000e-01 4.391000000000e-03 @@ -6112,8 +6112,8 @@ PROPERTY VALUES FOR THE ROHF SELF-CONSISTENT FIELD WAVEFUNCTION 2.950800000000e-02 2.950800000000e-02 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 - - + + 8.960260000000e-01 1.766000000000e-03 1.434860000000e-01 4.391000000000e-03 @@ -12024,9 +12024,14 @@ PROPERTY VALUES FOR THE ROHF SELF-CONSISTENT FIELD WAVEFUNCTION 2.950800000000e-02 2.950800000000e-02 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 - - - + + + + + + + + diff --git a/tests/molecules/LiH_ae_pyscf/LiH.wfnoj.xml b/tests/molecules/LiH_ae_pyscf/LiH.wfnoj.xml index f03c3e8d08..8b6c490273 100644 --- a/tests/molecules/LiH_ae_pyscf/LiH.wfnoj.xml +++ b/tests/molecules/LiH_ae_pyscf/LiH.wfnoj.xml @@ -1,16 +1,16 @@ - - - - - - - + + - + + + + + + diff --git a/tests/molecules/LiH_ae_pyscf_UHF/LiH.wfnoj.xml b/tests/molecules/LiH_ae_pyscf_UHF/LiH.wfnoj.xml index f89cc19514..b99f931120 100644 --- a/tests/molecules/LiH_ae_pyscf_UHF/LiH.wfnoj.xml +++ b/tests/molecules/LiH_ae_pyscf_UHF/LiH.wfnoj.xml @@ -1,16 +1,20 @@ - - - + + - - + + - + + + + + + diff --git a/tests/molecules/LiH_ae_qp/LiH.wfnoj.xml b/tests/molecules/LiH_ae_qp/LiH.wfnoj.xml index 053483c724..404c40d93d 100644 --- a/tests/molecules/LiH_ae_qp/LiH.wfnoj.xml +++ b/tests/molecules/LiH_ae_qp/LiH.wfnoj.xml @@ -1,16 +1,16 @@ - - - - - - - + + - + + + + + + diff --git a/tests/molecules/LiH_pp/LiH_pp-hdf5.wfs.xml b/tests/molecules/LiH_pp/LiH_pp-hdf5.wfs.xml index f6e6962b13..0b8d9e9fc6 100644 --- a/tests/molecules/LiH_pp/LiH_pp-hdf5.wfs.xml +++ b/tests/molecules/LiH_pp/LiH_pp-hdf5.wfs.xml @@ -1,16 +1,16 @@ - - - - - - - + + - + + + + + + diff --git a/tests/molecules/LiH_pp/LiH_pp-old-hdf5.wfs.xml b/tests/molecules/LiH_pp/LiH_pp-old-hdf5.wfs.xml index bfe27c3134..52d6d9b92a 100644 --- a/tests/molecules/LiH_pp/LiH_pp-old-hdf5.wfs.xml +++ b/tests/molecules/LiH_pp/LiH_pp-old-hdf5.wfs.xml @@ -1,16 +1,16 @@ - - - - - - - - + + + - + + + + + + diff --git a/tests/molecules/LiH_pp/LiH_pp-xml.wfs.xml b/tests/molecules/LiH_pp/LiH_pp-xml.wfs.xml index c9c7402b29..2033dc8dd1 100644 --- a/tests/molecules/LiH_pp/LiH_pp-xml.wfs.xml +++ b/tests/molecules/LiH_pp/LiH_pp-xml.wfs.xml @@ -1,7 +1,7 @@ - + @@ -158,8 +158,7 @@ - - + 6.56805000000000e-01 1.71299000000000e-01 2.18040000000000e-02 6.06600000000000e-03 @@ -1279,8 +1278,8 @@ 7.73330000000000e-02 0.00000000000000e+00 -5.18770000000000e-02 0.00000000000000e+00 -5.18770000000000e-02 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 - - + + 6.56805000000000e-01 1.71299000000000e-01 2.18040000000000e-02 6.06600000000000e-03 @@ -2400,7 +2399,12 @@ 7.73330000000000e-02 0.00000000000000e+00 -5.18770000000000e-02 0.00000000000000e+00 -5.18770000000000e-02 0.00000000000000e+00 0.00000000000000e+00 0.00000000000000e+00 - + + + + + + diff --git a/tests/molecules/LiH_pp/det_vmc_hf_noj.in.xml b/tests/molecules/LiH_pp/det_vmc_hf_noj.in.xml index d695521989..8d11be15f4 100644 --- a/tests/molecules/LiH_pp/det_vmc_hf_noj.in.xml +++ b/tests/molecules/LiH_pp/det_vmc_hf_noj.in.xml @@ -66,7 +66,7 @@ GAMESS numerical results: - + @@ -183,8 +183,7 @@ GAMESS numerical results: - - + 6.568050000000e-01 1.712990000000e-01 2.180400000000e-02 6.066000000000e-03 @@ -1304,8 +1303,8 @@ GAMESS numerical results: 7.733300000000e-02 0.000000000000e+00 -5.187700000000e-02 0.000000000000e+00 -5.187700000000e-02 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 - - + + 6.568050000000e-01 1.712990000000e-01 2.180400000000e-02 6.066000000000e-03 @@ -2425,7 +2424,12 @@ GAMESS numerical results: 7.733300000000e-02 0.000000000000e+00 -5.187700000000e-02 0.000000000000e+00 -5.187700000000e-02 0.000000000000e+00 0.000000000000e+00 0.000000000000e+00 - + + + + + + diff --git a/tests/molecules/O_ae_pyscf_UHF/O-UHF-Triplet.wfnoj.xml b/tests/molecules/O_ae_pyscf_UHF/O-UHF-Triplet.wfnoj.xml index 4164d4b982..2adedba287 100644 --- a/tests/molecules/O_ae_pyscf_UHF/O-UHF-Triplet.wfnoj.xml +++ b/tests/molecules/O_ae_pyscf_UHF/O-UHF-Triplet.wfnoj.xml @@ -1,16 +1,20 @@ - - - + + - - + + - + + + + + + diff --git a/tests/solids/LiH_solid_1x1x1_pp/det_ensemble_blocks_hf_vmc_LiH-gamma_0.xml b/tests/solids/LiH_solid_1x1x1_pp/det_ensemble_blocks_hf_vmc_LiH-gamma_0.xml index 089895d3dc..d9a7d5a92b 100644 --- a/tests/solids/LiH_solid_1x1x1_pp/det_ensemble_blocks_hf_vmc_LiH-gamma_0.xml +++ b/tests/solids/LiH_solid_1x1x1_pp/det_ensemble_blocks_hf_vmc_LiH-gamma_0.xml @@ -48,16 +48,13 @@ - + + + + - - - - - - - - + + diff --git a/tests/solids/LiH_solid_1x1x1_pp/det_ensemble_blocks_hf_vmc_LiH-gamma_1.xml b/tests/solids/LiH_solid_1x1x1_pp/det_ensemble_blocks_hf_vmc_LiH-gamma_1.xml index da9ed3a25f..67c8aa3c8e 100644 --- a/tests/solids/LiH_solid_1x1x1_pp/det_ensemble_blocks_hf_vmc_LiH-gamma_1.xml +++ b/tests/solids/LiH_solid_1x1x1_pp/det_ensemble_blocks_hf_vmc_LiH-gamma_1.xml @@ -47,17 +47,14 @@ Li H - - + + + + + - - - - - - - - + + diff --git a/tests/solids/LiH_solid_1x1x1_pp/det_ensemble_blocks_hf_vmc_LiH-gamma_2.xml b/tests/solids/LiH_solid_1x1x1_pp/det_ensemble_blocks_hf_vmc_LiH-gamma_2.xml index 4e96f199bc..9b37180f1a 100644 --- a/tests/solids/LiH_solid_1x1x1_pp/det_ensemble_blocks_hf_vmc_LiH-gamma_2.xml +++ b/tests/solids/LiH_solid_1x1x1_pp/det_ensemble_blocks_hf_vmc_LiH-gamma_2.xml @@ -47,17 +47,14 @@ Li H - - + + + + + - - - - - - - - + + diff --git a/tests/solids/LiH_solid_1x1x1_pp/det_ensemble_blocks_hf_vmc_LiH-gamma_3.xml b/tests/solids/LiH_solid_1x1x1_pp/det_ensemble_blocks_hf_vmc_LiH-gamma_3.xml index e677aebd9d..1803848fe0 100644 --- a/tests/solids/LiH_solid_1x1x1_pp/det_ensemble_blocks_hf_vmc_LiH-gamma_3.xml +++ b/tests/solids/LiH_solid_1x1x1_pp/det_ensemble_blocks_hf_vmc_LiH-gamma_3.xml @@ -47,17 +47,14 @@ Li H - - + + + + + - - - - - - - - + + diff --git a/tests/solids/LiH_solid_1x1x1_pp/det_hf_vmc_LiH-gamma.xml b/tests/solids/LiH_solid_1x1x1_pp/det_hf_vmc_LiH-gamma.xml index 16504f978d..db70d6b99c 100644 --- a/tests/solids/LiH_solid_1x1x1_pp/det_hf_vmc_LiH-gamma.xml +++ b/tests/solids/LiH_solid_1x1x1_pp/det_hf_vmc_LiH-gamma.xml @@ -47,17 +47,14 @@ Li H - - + + + + + - - - - - - - - + + diff --git a/tests/solids/LiH_solid_1x1x1_pp/hf_vmc_LiH-arb-drift.xml b/tests/solids/LiH_solid_1x1x1_pp/hf_vmc_LiH-arb-drift.xml index d3ca3b0a3a..c49311837b 100644 --- a/tests/solids/LiH_solid_1x1x1_pp/hf_vmc_LiH-arb-drift.xml +++ b/tests/solids/LiH_solid_1x1x1_pp/hf_vmc_LiH-arb-drift.xml @@ -47,17 +47,14 @@ Li H - - + + + + + - - - - - - - - + + diff --git a/tests/solids/LiH_solid_1x1x1_pp/hf_vmc_LiH-arb.xml b/tests/solids/LiH_solid_1x1x1_pp/hf_vmc_LiH-arb.xml index 61264fce2a..0cf2c63ee3 100644 --- a/tests/solids/LiH_solid_1x1x1_pp/hf_vmc_LiH-arb.xml +++ b/tests/solids/LiH_solid_1x1x1_pp/hf_vmc_LiH-arb.xml @@ -47,17 +47,14 @@ Li H - - + + + + + - - - - - - - - + + diff --git a/tests/solids/LiH_solid_1x1x1_pp/hf_vmc_LiH-gamma-drift.xml b/tests/solids/LiH_solid_1x1x1_pp/hf_vmc_LiH-gamma-drift.xml index 383229f1f4..bf9711531e 100644 --- a/tests/solids/LiH_solid_1x1x1_pp/hf_vmc_LiH-gamma-drift.xml +++ b/tests/solids/LiH_solid_1x1x1_pp/hf_vmc_LiH-gamma-drift.xml @@ -47,17 +47,14 @@ Li H - - + + + + + - - - - - - - - + + diff --git a/tests/solids/LiH_solid_1x1x1_pp/hf_vmc_LiH-gamma.xml b/tests/solids/LiH_solid_1x1x1_pp/hf_vmc_LiH-gamma.xml index 393cacdfdf..57e844c8c6 100644 --- a/tests/solids/LiH_solid_1x1x1_pp/hf_vmc_LiH-gamma.xml +++ b/tests/solids/LiH_solid_1x1x1_pp/hf_vmc_LiH-gamma.xml @@ -46,17 +46,14 @@ Li H - - + + + + + - - - - - - - - + + diff --git a/tests/solids/LiH_solid_1x1x1_pp/hf_vmc_LiH-x-drift.xml b/tests/solids/LiH_solid_1x1x1_pp/hf_vmc_LiH-x-drift.xml index 3414e87643..fca1db77d0 100644 --- a/tests/solids/LiH_solid_1x1x1_pp/hf_vmc_LiH-x-drift.xml +++ b/tests/solids/LiH_solid_1x1x1_pp/hf_vmc_LiH-x-drift.xml @@ -47,17 +47,14 @@ Li H - - + + + + + - - - - - - - - + + diff --git a/tests/solids/LiH_solid_1x1x1_pp/hf_vmc_LiH-x.xml b/tests/solids/LiH_solid_1x1x1_pp/hf_vmc_LiH-x.xml index 2145de0c41..99ff947613 100644 --- a/tests/solids/LiH_solid_1x1x1_pp/hf_vmc_LiH-x.xml +++ b/tests/solids/LiH_solid_1x1x1_pp/hf_vmc_LiH-x.xml @@ -46,17 +46,14 @@ Li H - - + + + + + - - - - - - - - + + diff --git a/tests/solids/LiH_solid_1x1x1_pp/hf_vmc_LiH-x_hybridrep.xml b/tests/solids/LiH_solid_1x1x1_pp/hf_vmc_LiH-x_hybridrep.xml index 38edca06fe..5d0c8dbe6d 100644 --- a/tests/solids/LiH_solid_1x1x1_pp/hf_vmc_LiH-x_hybridrep.xml +++ b/tests/solids/LiH_solid_1x1x1_pp/hf_vmc_LiH-x_hybridrep.xml @@ -55,17 +55,14 @@ Li H - - + + + + + - - - - - - - - + + diff --git a/tests/solids/LiH_solid_1x1x1_pp/hf_vmc_dmc_short_LiH-arb.xml b/tests/solids/LiH_solid_1x1x1_pp/hf_vmc_dmc_short_LiH-arb.xml index f28b591b1d..5e8af57420 100644 --- a/tests/solids/LiH_solid_1x1x1_pp/hf_vmc_dmc_short_LiH-arb.xml +++ b/tests/solids/LiH_solid_1x1x1_pp/hf_vmc_dmc_short_LiH-arb.xml @@ -47,17 +47,14 @@ Li H - - + + + + + - - - - - - - - + + diff --git a/tests/solids/LiH_solid_1x1x1_pp/hf_vmc_dmc_short_LiH-gamma.xml b/tests/solids/LiH_solid_1x1x1_pp/hf_vmc_dmc_short_LiH-gamma.xml index 09e0fa2eb4..e041403eff 100644 --- a/tests/solids/LiH_solid_1x1x1_pp/hf_vmc_dmc_short_LiH-gamma.xml +++ b/tests/solids/LiH_solid_1x1x1_pp/hf_vmc_dmc_short_LiH-gamma.xml @@ -47,17 +47,14 @@ Li H - - + + + + + - - - - - - - - + + diff --git a/tests/solids/LiH_solid_1x1x1_pp/hf_vmc_dmc_short_LiH-x.xml b/tests/solids/LiH_solid_1x1x1_pp/hf_vmc_dmc_short_LiH-x.xml index 79a8721796..5da2fb2137 100644 --- a/tests/solids/LiH_solid_1x1x1_pp/hf_vmc_dmc_short_LiH-x.xml +++ b/tests/solids/LiH_solid_1x1x1_pp/hf_vmc_dmc_short_LiH-x.xml @@ -47,17 +47,14 @@ Li H - - + + + + + - - - - - - - - + + diff --git a/tests/solids/LiH_solid_1x1x1_pp/hf_vmc_dmcnl_short_LiH-arb.xml b/tests/solids/LiH_solid_1x1x1_pp/hf_vmc_dmcnl_short_LiH-arb.xml index 79cd685e31..a519f3895a 100644 --- a/tests/solids/LiH_solid_1x1x1_pp/hf_vmc_dmcnl_short_LiH-arb.xml +++ b/tests/solids/LiH_solid_1x1x1_pp/hf_vmc_dmcnl_short_LiH-arb.xml @@ -47,17 +47,14 @@ Li H - - + + + + + - - - - - - - - + + diff --git a/tests/solids/LiH_solid_1x1x1_pp/hf_vmc_dmcnl_short_LiH-gamma.xml b/tests/solids/LiH_solid_1x1x1_pp/hf_vmc_dmcnl_short_LiH-gamma.xml index a6677c1574..f68ef5d596 100644 --- a/tests/solids/LiH_solid_1x1x1_pp/hf_vmc_dmcnl_short_LiH-gamma.xml +++ b/tests/solids/LiH_solid_1x1x1_pp/hf_vmc_dmcnl_short_LiH-gamma.xml @@ -47,17 +47,14 @@ Li H - - + + + + + - - - - - - - - + + diff --git a/tests/solids/LiH_solid_1x1x1_pp/hf_vmc_dmcnl_short_LiH-x.xml b/tests/solids/LiH_solid_1x1x1_pp/hf_vmc_dmcnl_short_LiH-x.xml index b3ec135094..fae5d48624 100644 --- a/tests/solids/LiH_solid_1x1x1_pp/hf_vmc_dmcnl_short_LiH-x.xml +++ b/tests/solids/LiH_solid_1x1x1_pp/hf_vmc_dmcnl_short_LiH-x.xml @@ -47,17 +47,14 @@ Li H - - + + + + + - - - - - - - - + + diff --git a/tests/solids/NiO_a4_e48_pp/NiO-L2-long.in.xml b/tests/solids/NiO_a4_e48_pp/NiO-L2-long.in.xml index b15b18850f..97098640c4 100644 --- a/tests/solids/NiO_a4_e48_pp/NiO-L2-long.in.xml +++ b/tests/solids/NiO_a4_e48_pp/NiO-L2-long.in.xml @@ -48,16 +48,14 @@ - + + + + + - - - - - - - - + + diff --git a/tests/solids/NiO_a4_e48_pp/NiO-L2-short.in.xml b/tests/solids/NiO_a4_e48_pp/NiO-L2-short.in.xml index f67e4cbfa8..d73348a87a 100644 --- a/tests/solids/NiO_a4_e48_pp/NiO-L2-short.in.xml +++ b/tests/solids/NiO_a4_e48_pp/NiO-L2-short.in.xml @@ -48,16 +48,14 @@ - + + + + + - - - - - - - - + + diff --git a/tests/solids/NiO_a4_e48_pp/NiO-delayedupdate-vmc-dmc-TMv1v3-short.in.xml b/tests/solids/NiO_a4_e48_pp/NiO-delayedupdate-vmc-dmc-TMv1v3-short.in.xml index 18d12cfbd4..59104534e2 100644 --- a/tests/solids/NiO_a4_e48_pp/NiO-delayedupdate-vmc-dmc-TMv1v3-short.in.xml +++ b/tests/solids/NiO_a4_e48_pp/NiO-delayedupdate-vmc-dmc-TMv1v3-short.in.xml @@ -48,16 +48,14 @@ - + + + + + - - - - - - - - + + diff --git a/tests/solids/NiO_a4_e48_pp/NiO-delayedupdate-vmc-dmc-short.in.xml b/tests/solids/NiO_a4_e48_pp/NiO-delayedupdate-vmc-dmc-short.in.xml index 68e4eac8d8..cfd2b088fc 100644 --- a/tests/solids/NiO_a4_e48_pp/NiO-delayedupdate-vmc-dmc-short.in.xml +++ b/tests/solids/NiO_a4_e48_pp/NiO-delayedupdate-vmc-dmc-short.in.xml @@ -48,16 +48,14 @@ - + + + + + - - - - - - - - + + diff --git a/tests/solids/NiO_a4_e48_pp/NiO-hybridrep-j3-batched-vmc-short.in.xml b/tests/solids/NiO_a4_e48_pp/NiO-hybridrep-j3-batched-vmc-short.in.xml index bbcb08ddb4..e8e2022c54 100644 --- a/tests/solids/NiO_a4_e48_pp/NiO-hybridrep-j3-batched-vmc-short.in.xml +++ b/tests/solids/NiO_a4_e48_pp/NiO-hybridrep-j3-batched-vmc-short.in.xml @@ -52,16 +52,14 @@ - + + + + + - - - - - - - - + + diff --git a/tests/solids/NiO_a4_e48_pp/NiO-hybridrep-j3-vmc-short.in.xml b/tests/solids/NiO_a4_e48_pp/NiO-hybridrep-j3-vmc-short.in.xml index ac710b8105..1062cc4014 100644 --- a/tests/solids/NiO_a4_e48_pp/NiO-hybridrep-j3-vmc-short.in.xml +++ b/tests/solids/NiO_a4_e48_pp/NiO-hybridrep-j3-vmc-short.in.xml @@ -52,16 +52,14 @@ - + + + + + - - - - - - - - + + diff --git a/tests/solids/NiO_a4_e48_pp/NiO-j3-batched-vmc-short.in.xml b/tests/solids/NiO_a4_e48_pp/NiO-j3-batched-vmc-short.in.xml index 69ef44731a..293ee5c6be 100644 --- a/tests/solids/NiO_a4_e48_pp/NiO-j3-batched-vmc-short.in.xml +++ b/tests/solids/NiO_a4_e48_pp/NiO-j3-batched-vmc-short.in.xml @@ -48,16 +48,14 @@ - + + + + + - - - - - - - - + + diff --git a/tests/solids/NiO_a4_e48_pp/NiO-j3-vmc-long.in.xml b/tests/solids/NiO_a4_e48_pp/NiO-j3-vmc-long.in.xml index 9de78d2c21..24890f58ed 100644 --- a/tests/solids/NiO_a4_e48_pp/NiO-j3-vmc-long.in.xml +++ b/tests/solids/NiO_a4_e48_pp/NiO-j3-vmc-long.in.xml @@ -48,16 +48,14 @@ - + + + + + - - - - - - - - + + diff --git a/tests/solids/NiO_a4_e48_pp/NiO-j3-vmc-short.in.xml b/tests/solids/NiO_a4_e48_pp/NiO-j3-vmc-short.in.xml index f8b81e0447..c45bef2ea7 100644 --- a/tests/solids/NiO_a4_e48_pp/NiO-j3-vmc-short.in.xml +++ b/tests/solids/NiO_a4_e48_pp/NiO-j3-vmc-short.in.xml @@ -48,16 +48,14 @@ - + + + + + - - - - - - - - + + diff --git a/tests/solids/NiO_a4_e48_pp/NiO-vmc-dmc-TMv1v3-short.in.xml b/tests/solids/NiO_a4_e48_pp/NiO-vmc-dmc-TMv1v3-short.in.xml index ff7db0ba8a..c6c79de33f 100644 --- a/tests/solids/NiO_a4_e48_pp/NiO-vmc-dmc-TMv1v3-short.in.xml +++ b/tests/solids/NiO_a4_e48_pp/NiO-vmc-dmc-TMv1v3-short.in.xml @@ -48,16 +48,14 @@ - + + + + + - - - - - - - - + + diff --git a/tests/solids/NiO_a4_e48_pp/NiO-vmc-dmc-short.in.xml b/tests/solids/NiO_a4_e48_pp/NiO-vmc-dmc-short.in.xml index fe09a3ee70..431e3154f2 100644 --- a/tests/solids/NiO_a4_e48_pp/NiO-vmc-dmc-short.in.xml +++ b/tests/solids/NiO_a4_e48_pp/NiO-vmc-dmc-short.in.xml @@ -48,16 +48,14 @@ - + + + + + - - - - - - - - + + diff --git a/tests/solids/NiO_a4_e48_pp/NiO-vmc-long.in.xml b/tests/solids/NiO_a4_e48_pp/NiO-vmc-long.in.xml index f119846aff..fd8354a099 100644 --- a/tests/solids/NiO_a4_e48_pp/NiO-vmc-long.in.xml +++ b/tests/solids/NiO_a4_e48_pp/NiO-vmc-long.in.xml @@ -48,16 +48,14 @@ - + + + + + - - - - - - - - + + diff --git a/tests/solids/NiO_a4_e48_pp/NiO-vmc-short.in.xml b/tests/solids/NiO_a4_e48_pp/NiO-vmc-short.in.xml index 977a5010e8..1a8d48e1c8 100644 --- a/tests/solids/NiO_a4_e48_pp/NiO-vmc-short.in.xml +++ b/tests/solids/NiO_a4_e48_pp/NiO-vmc-short.in.xml @@ -48,16 +48,14 @@ - + + + + + - - - - - - - - + + diff --git a/tests/solids/NiO_a4_e48_pp/det_NiO-batched-vmc-splitJ1.in.xml b/tests/solids/NiO_a4_e48_pp/det_NiO-batched-vmc-splitJ1.in.xml index b6545069ef..8eaa8cc72f 100644 --- a/tests/solids/NiO_a4_e48_pp/det_NiO-batched-vmc-splitJ1.in.xml +++ b/tests/solids/NiO_a4_e48_pp/det_NiO-batched-vmc-splitJ1.in.xml @@ -49,16 +49,14 @@ - + + + + + - - - - - - - - + + diff --git a/tests/solids/NiO_a4_e48_pp/det_NiO-batched-vmc.in.xml b/tests/solids/NiO_a4_e48_pp/det_NiO-batched-vmc.in.xml index c99f51240c..21d008ceb9 100644 --- a/tests/solids/NiO_a4_e48_pp/det_NiO-batched-vmc.in.xml +++ b/tests/solids/NiO_a4_e48_pp/det_NiO-batched-vmc.in.xml @@ -49,16 +49,14 @@ - + + + + + - - - - - - - - + + diff --git a/tests/solids/NiO_a4_e48_pp/det_NiO-vmc.in.xml b/tests/solids/NiO_a4_e48_pp/det_NiO-vmc.in.xml index 2f7ab2c896..28116658a7 100644 --- a/tests/solids/NiO_a4_e48_pp/det_NiO-vmc.in.xml +++ b/tests/solids/NiO_a4_e48_pp/det_NiO-vmc.in.xml @@ -48,16 +48,14 @@ - + + + + + - - - - - - - - + + diff --git a/tests/solids/atomO_pp/qmc_short.in.xml b/tests/solids/atomO_pp/qmc_short.in.xml index 8d10d6aae7..b834df8b66 100644 --- a/tests/solids/atomO_pp/qmc_short.in.xml +++ b/tests/solids/atomO_pp/qmc_short.in.xml @@ -38,14 +38,14 @@ - - - - - - - - + + + + + + + + diff --git a/tests/solids/atomO_pp/qmc_short_noj.in.xml b/tests/solids/atomO_pp/qmc_short_noj.in.xml index 5c6c3c8178..bfa101684c 100644 --- a/tests/solids/atomO_pp/qmc_short_noj.in.xml +++ b/tests/solids/atomO_pp/qmc_short_noj.in.xml @@ -37,16 +37,16 @@ - - - - - - - - + + + + + + + + - + diff --git a/tests/solids/bccH_1x1x1_ae/det_qmc_short_csvmc_all.in.xml b/tests/solids/bccH_1x1x1_ae/det_qmc_short_csvmc_all.in.xml index 4fc414912e..6a634a2fa9 100644 --- a/tests/solids/bccH_1x1x1_ae/det_qmc_short_csvmc_all.in.xml +++ b/tests/solids/bccH_1x1x1_ae/det_qmc_short_csvmc_all.in.xml @@ -56,14 +56,14 @@ - + - + - - + + @@ -84,14 +84,14 @@ - + - + - - + + diff --git a/tests/solids/bccH_1x1x1_ae/qmc_cpu_limit_rmc.xml b/tests/solids/bccH_1x1x1_ae/qmc_cpu_limit_rmc.xml index 03c07b24db..2b40aa1210 100644 --- a/tests/solids/bccH_1x1x1_ae/qmc_cpu_limit_rmc.xml +++ b/tests/solids/bccH_1x1x1_ae/qmc_cpu_limit_rmc.xml @@ -38,16 +38,15 @@ - - - - - - - - - - + + + + + + + + + diff --git a/tests/solids/bccH_1x1x1_ae/qmc_long.in.xml b/tests/solids/bccH_1x1x1_ae/qmc_long.in.xml index 8c6eddf901..345689eb4b 100644 --- a/tests/solids/bccH_1x1x1_ae/qmc_long.in.xml +++ b/tests/solids/bccH_1x1x1_ae/qmc_long.in.xml @@ -38,16 +38,15 @@ - - - - - - - - - - + + + + + + + + + diff --git a/tests/solids/bccH_1x1x1_ae/qmc_long_vmc_dmc.in.xml b/tests/solids/bccH_1x1x1_ae/qmc_long_vmc_dmc.in.xml index b065f50c7c..cbdc197a81 100644 --- a/tests/solids/bccH_1x1x1_ae/qmc_long_vmc_dmc.in.xml +++ b/tests/solids/bccH_1x1x1_ae/qmc_long_vmc_dmc.in.xml @@ -38,16 +38,15 @@ - - - - - - - - - - + + + + + + + + + diff --git a/tests/solids/bccH_1x1x1_ae/qmc_long_vmc_rmc.in.xml b/tests/solids/bccH_1x1x1_ae/qmc_long_vmc_rmc.in.xml index 309d4a1c29..19d8da2658 100644 --- a/tests/solids/bccH_1x1x1_ae/qmc_long_vmc_rmc.in.xml +++ b/tests/solids/bccH_1x1x1_ae/qmc_long_vmc_rmc.in.xml @@ -38,16 +38,15 @@ - - - - - - - - - - + + + + + + + + + diff --git a/tests/solids/bccH_1x1x1_ae/qmc_short.in.xml b/tests/solids/bccH_1x1x1_ae/qmc_short.in.xml index 5295c8ca10..647b54011d 100644 --- a/tests/solids/bccH_1x1x1_ae/qmc_short.in.xml +++ b/tests/solids/bccH_1x1x1_ae/qmc_short.in.xml @@ -37,16 +37,15 @@ - - - - - - - - - - + + + + + + + + + diff --git a/tests/solids/bccH_1x1x1_ae/qmc_short_csvmc_all.in.xml b/tests/solids/bccH_1x1x1_ae/qmc_short_csvmc_all.in.xml index 3a47b01502..fa3aca0bb1 100644 --- a/tests/solids/bccH_1x1x1_ae/qmc_short_csvmc_all.in.xml +++ b/tests/solids/bccH_1x1x1_ae/qmc_short_csvmc_all.in.xml @@ -55,14 +55,14 @@ - + - + - - + + @@ -83,14 +83,14 @@ - + - + - - + + diff --git a/tests/solids/bccH_1x1x1_ae/qmc_short_csvmc_all_nodrift.in.xml b/tests/solids/bccH_1x1x1_ae/qmc_short_csvmc_all_nodrift.in.xml index ce01e67628..dd4f7fb9cd 100644 --- a/tests/solids/bccH_1x1x1_ae/qmc_short_csvmc_all_nodrift.in.xml +++ b/tests/solids/bccH_1x1x1_ae/qmc_short_csvmc_all_nodrift.in.xml @@ -55,14 +55,14 @@ - + - + - - + + @@ -83,14 +83,14 @@ - + - + - - + + diff --git a/tests/solids/bccH_1x1x1_ae/qmc_short_csvmc_pbyp_nodrift.in.xml b/tests/solids/bccH_1x1x1_ae/qmc_short_csvmc_pbyp_nodrift.in.xml index 913018fbf7..be900a81ac 100644 --- a/tests/solids/bccH_1x1x1_ae/qmc_short_csvmc_pbyp_nodrift.in.xml +++ b/tests/solids/bccH_1x1x1_ae/qmc_short_csvmc_pbyp_nodrift.in.xml @@ -55,14 +55,14 @@ - + - + - - + + @@ -83,14 +83,14 @@ - + - + - - + + diff --git a/tests/solids/bccH_1x1x1_ae/qmc_short_vmc_all.in.xml b/tests/solids/bccH_1x1x1_ae/qmc_short_vmc_all.in.xml index 540423c909..11f17624d0 100644 --- a/tests/solids/bccH_1x1x1_ae/qmc_short_vmc_all.in.xml +++ b/tests/solids/bccH_1x1x1_ae/qmc_short_vmc_all.in.xml @@ -38,16 +38,15 @@ - - - - - - - - - - + + + + + + + + + diff --git a/tests/solids/bccH_1x1x1_ae/qmc_short_vmc_all_nodrift.in.xml b/tests/solids/bccH_1x1x1_ae/qmc_short_vmc_all_nodrift.in.xml index 2ddc388d18..42e9595fe6 100644 --- a/tests/solids/bccH_1x1x1_ae/qmc_short_vmc_all_nodrift.in.xml +++ b/tests/solids/bccH_1x1x1_ae/qmc_short_vmc_all_nodrift.in.xml @@ -38,16 +38,15 @@ - - - - - - - - - - + + + + + + + + + diff --git a/tests/solids/bccH_1x1x1_ae/qmc_short_vmc_dmc.in.xml b/tests/solids/bccH_1x1x1_ae/qmc_short_vmc_dmc.in.xml index eefc835b24..4b6c823eed 100644 --- a/tests/solids/bccH_1x1x1_ae/qmc_short_vmc_dmc.in.xml +++ b/tests/solids/bccH_1x1x1_ae/qmc_short_vmc_dmc.in.xml @@ -38,16 +38,15 @@ - - - - - - - - - - + + + + + + + + + diff --git a/tests/solids/bccH_1x1x1_ae/qmc_short_vmc_dmc_all.in.xml b/tests/solids/bccH_1x1x1_ae/qmc_short_vmc_dmc_all.in.xml index 54cedd8133..b586e977d7 100644 --- a/tests/solids/bccH_1x1x1_ae/qmc_short_vmc_dmc_all.in.xml +++ b/tests/solids/bccH_1x1x1_ae/qmc_short_vmc_dmc_all.in.xml @@ -38,16 +38,15 @@ - - - - - - - - - - + + + + + + + + + diff --git a/tests/solids/bccH_1x1x1_ae/qmc_short_vmc_rmc.in.xml b/tests/solids/bccH_1x1x1_ae/qmc_short_vmc_rmc.in.xml index a5220c0be0..cf415ca45d 100644 --- a/tests/solids/bccH_1x1x1_ae/qmc_short_vmc_rmc.in.xml +++ b/tests/solids/bccH_1x1x1_ae/qmc_short_vmc_rmc.in.xml @@ -38,16 +38,15 @@ - - - - - - - - - - + + + + + + + + + diff --git a/tests/solids/bccH_2x2x2_ae/deriv.xml b/tests/solids/bccH_2x2x2_ae/deriv.xml index eaac0f8325..d5cfb0d02a 100644 --- a/tests/solids/bccH_2x2x2_ae/deriv.xml +++ b/tests/solids/bccH_2x2x2_ae/deriv.xml @@ -50,9 +50,9 @@ - + - + @@ -70,8 +70,8 @@ - - + + diff --git a/tests/solids/bccH_2x2x2_ae/det_qmc-bf-opt.in.xml b/tests/solids/bccH_2x2x2_ae/det_qmc-bf-opt.in.xml index 3e58ca8bfd..06304f76b3 100644 --- a/tests/solids/bccH_2x2x2_ae/det_qmc-bf-opt.in.xml +++ b/tests/solids/bccH_2x2x2_ae/det_qmc-bf-opt.in.xml @@ -51,9 +51,9 @@ - + - + @@ -71,8 +71,8 @@ - - + + diff --git a/tests/solids/bccH_2x2x2_ae/gamma_deriv.xml b/tests/solids/bccH_2x2x2_ae/gamma_deriv.xml index 5b14b8396d..83d60cd18f 100644 --- a/tests/solids/bccH_2x2x2_ae/gamma_deriv.xml +++ b/tests/solids/bccH_2x2x2_ae/gamma_deriv.xml @@ -50,9 +50,9 @@ - + - + @@ -70,8 +70,8 @@ - - + + diff --git a/tests/solids/bccH_2x2x2_ae/grad_lap.xml b/tests/solids/bccH_2x2x2_ae/grad_lap.xml index d7d7445a7b..d32bc2bedb 100644 --- a/tests/solids/bccH_2x2x2_ae/grad_lap.xml +++ b/tests/solids/bccH_2x2x2_ae/grad_lap.xml @@ -50,9 +50,9 @@ - + - + @@ -70,8 +70,8 @@ - - + + diff --git a/tests/solids/bccH_2x2x2_ae/qmc-short-bf.in.xml b/tests/solids/bccH_2x2x2_ae/qmc-short-bf.in.xml index 9a906ce51b..af503720af 100644 --- a/tests/solids/bccH_2x2x2_ae/qmc-short-bf.in.xml +++ b/tests/solids/bccH_2x2x2_ae/qmc-short-bf.in.xml @@ -50,9 +50,9 @@ - + - + @@ -70,8 +70,8 @@ - - + + diff --git a/tests/solids/bccH_3x3x3_ae/deriv.xml b/tests/solids/bccH_3x3x3_ae/deriv.xml index d8f0e63600..5001ac9693 100644 --- a/tests/solids/bccH_3x3x3_ae/deriv.xml +++ b/tests/solids/bccH_3x3x3_ae/deriv.xml @@ -90,9 +90,9 @@ - + - + @@ -110,12 +110,8 @@ - - - - - - + + diff --git a/tests/solids/bccH_3x3x3_ae/gamma_deriv.xml b/tests/solids/bccH_3x3x3_ae/gamma_deriv.xml index 2326217f77..12e5f8b89c 100644 --- a/tests/solids/bccH_3x3x3_ae/gamma_deriv.xml +++ b/tests/solids/bccH_3x3x3_ae/gamma_deriv.xml @@ -90,9 +90,9 @@ - + - + @@ -110,12 +110,8 @@ - - - - - - + + diff --git a/tests/solids/bccH_3x3x3_ae/grad_lap.xml b/tests/solids/bccH_3x3x3_ae/grad_lap.xml index 5212de3c94..35c33e6df2 100644 --- a/tests/solids/bccH_3x3x3_ae/grad_lap.xml +++ b/tests/solids/bccH_3x3x3_ae/grad_lap.xml @@ -90,9 +90,9 @@ - + - + @@ -110,12 +110,8 @@ - - - - - - + + diff --git a/tests/solids/bccH_3x3x3_ae/not-orth_deriv.xml b/tests/solids/bccH_3x3x3_ae/not-orth_deriv.xml index 0057976ed3..41d186a0fe 100644 --- a/tests/solids/bccH_3x3x3_ae/not-orth_deriv.xml +++ b/tests/solids/bccH_3x3x3_ae/not-orth_deriv.xml @@ -60,9 +60,9 @@ - + - + @@ -80,8 +80,8 @@ - - + + diff --git a/tests/solids/bccMo_2x1x1_SOREP/Mo-vmc-dmc-long.in.xml b/tests/solids/bccMo_2x1x1_SOREP/Mo-vmc-dmc-long.in.xml index 299bd9dc6d..b19da9824e 100644 --- a/tests/solids/bccMo_2x1x1_SOREP/Mo-vmc-dmc-long.in.xml +++ b/tests/solids/bccMo_2x1x1_SOREP/Mo-vmc-dmc-long.in.xml @@ -36,14 +36,14 @@ - + - + - + diff --git a/tests/solids/bccMo_2x1x1_SOREP/Mo-vmc-dmc-short.in.xml b/tests/solids/bccMo_2x1x1_SOREP/Mo-vmc-dmc-short.in.xml index a88d8a6487..abaea8fd63 100644 --- a/tests/solids/bccMo_2x1x1_SOREP/Mo-vmc-dmc-short.in.xml +++ b/tests/solids/bccMo_2x1x1_SOREP/Mo-vmc-dmc-short.in.xml @@ -36,14 +36,14 @@ - + - + - + diff --git a/tests/solids/bccMo_2x1x1_SOREP/Mo-vmc-long.in.xml b/tests/solids/bccMo_2x1x1_SOREP/Mo-vmc-long.in.xml index c2ee05e1f4..cf229889f7 100644 --- a/tests/solids/bccMo_2x1x1_SOREP/Mo-vmc-long.in.xml +++ b/tests/solids/bccMo_2x1x1_SOREP/Mo-vmc-long.in.xml @@ -36,14 +36,14 @@ - + - + - + diff --git a/tests/solids/bccMo_2x1x1_SOREP/Mo-vmc-short.in.xml b/tests/solids/bccMo_2x1x1_SOREP/Mo-vmc-short.in.xml index 42f231e67e..898ecce411 100644 --- a/tests/solids/bccMo_2x1x1_SOREP/Mo-vmc-short.in.xml +++ b/tests/solids/bccMo_2x1x1_SOREP/Mo-vmc-short.in.xml @@ -36,14 +36,14 @@ - + - + - + diff --git a/tests/solids/bccMo_2x1x1_SOREP/det_Mo-vmc-dmc.in.xml b/tests/solids/bccMo_2x1x1_SOREP/det_Mo-vmc-dmc.in.xml index d698f8014e..b5f77dd16a 100644 --- a/tests/solids/bccMo_2x1x1_SOREP/det_Mo-vmc-dmc.in.xml +++ b/tests/solids/bccMo_2x1x1_SOREP/det_Mo-vmc-dmc.in.xml @@ -36,14 +36,14 @@ - + - + - + diff --git a/tests/solids/bccMo_2x1x1_SOREP/det_Mo-vmc.in.xml b/tests/solids/bccMo_2x1x1_SOREP/det_Mo-vmc.in.xml index 69276847c0..a1396c3bca 100644 --- a/tests/solids/bccMo_2x1x1_SOREP/det_Mo-vmc.in.xml +++ b/tests/solids/bccMo_2x1x1_SOREP/det_Mo-vmc.in.xml @@ -36,14 +36,14 @@ - + - + - + diff --git a/tests/solids/diamondC_1x1x1_pp/det_qmc_1rdm_J2_short.in.xml b/tests/solids/diamondC_1x1x1_pp/det_qmc_1rdm_J2_short.in.xml index 7c694935b1..590379ab9f 100644 --- a/tests/solids/diamondC_1x1x1_pp/det_qmc_1rdm_J2_short.in.xml +++ b/tests/solids/diamondC_1x1x1_pp/det_qmc_1rdm_J2_short.in.xml @@ -39,14 +39,14 @@ - + - + - - + + diff --git a/tests/solids/diamondC_1x1x1_pp/det_qmc_1rdm_noJ_short.in.xml b/tests/solids/diamondC_1x1x1_pp/det_qmc_1rdm_noJ_short.in.xml index 708712e5a3..7b8bb52b74 100644 --- a/tests/solids/diamondC_1x1x1_pp/det_qmc_1rdm_noJ_short.in.xml +++ b/tests/solids/diamondC_1x1x1_pp/det_qmc_1rdm_noJ_short.in.xml @@ -39,14 +39,14 @@ - + - + - - + + diff --git a/tests/solids/diamondC_1x1x1_pp/det_qmc_1rdm_short_vmc_dmc.in.xml b/tests/solids/diamondC_1x1x1_pp/det_qmc_1rdm_short_vmc_dmc.in.xml index 71249dd96c..1f44c18c2e 100644 --- a/tests/solids/diamondC_1x1x1_pp/det_qmc_1rdm_short_vmc_dmc.in.xml +++ b/tests/solids/diamondC_1x1x1_pp/det_qmc_1rdm_short_vmc_dmc.in.xml @@ -39,14 +39,14 @@ - + - + - - + + diff --git a/tests/solids/diamondC_1x1x1_pp/det_qmc_dens_short.in.xml b/tests/solids/diamondC_1x1x1_pp/det_qmc_dens_short.in.xml index 379bbdafa8..dcc4885a09 100644 --- a/tests/solids/diamondC_1x1x1_pp/det_qmc_dens_short.in.xml +++ b/tests/solids/diamondC_1x1x1_pp/det_qmc_dens_short.in.xml @@ -39,15 +39,14 @@ - - - - - - - - - + + + + + + + + diff --git a/tests/solids/diamondC_1x1x1_pp/det_qmc_dens_short_mw.in.xml b/tests/solids/diamondC_1x1x1_pp/det_qmc_dens_short_mw.in.xml index 394a60448a..2c24ab497f 100644 --- a/tests/solids/diamondC_1x1x1_pp/det_qmc_dens_short_mw.in.xml +++ b/tests/solids/diamondC_1x1x1_pp/det_qmc_dens_short_mw.in.xml @@ -39,16 +39,15 @@ - - - - - - - - - - + + + + + + + + + diff --git a/tests/solids/diamondC_1x1x1_pp/det_qmc_dens_short_vmc_dmc.in.xml b/tests/solids/diamondC_1x1x1_pp/det_qmc_dens_short_vmc_dmc.in.xml index 5ca0e117ae..cd58a1a5f1 100644 --- a/tests/solids/diamondC_1x1x1_pp/det_qmc_dens_short_vmc_dmc.in.xml +++ b/tests/solids/diamondC_1x1x1_pp/det_qmc_dens_short_vmc_dmc.in.xml @@ -39,16 +39,15 @@ - - - - - - - - - - + + + + + + + + + diff --git a/tests/solids/diamondC_1x1x1_pp/det_qmc_dens_short_vmc_rmc.in.xml b/tests/solids/diamondC_1x1x1_pp/det_qmc_dens_short_vmc_rmc.in.xml index 1c445c1041..9587b9d342 100644 --- a/tests/solids/diamondC_1x1x1_pp/det_qmc_dens_short_vmc_rmc.in.xml +++ b/tests/solids/diamondC_1x1x1_pp/det_qmc_dens_short_vmc_rmc.in.xml @@ -39,16 +39,15 @@ - - - - - - - - - - + + + + + + + + + diff --git a/tests/solids/diamondC_1x1x1_pp/det_qmc_input_check_broken_xml.in.xml b/tests/solids/diamondC_1x1x1_pp/det_qmc_input_check_broken_xml.in.xml index 197c09b1f0..a8f6d2356f 100644 --- a/tests/solids/diamondC_1x1x1_pp/det_qmc_input_check_broken_xml.in.xml +++ b/tests/solids/diamondC_1x1x1_pp/det_qmc_input_check_broken_xml.in.xml @@ -40,16 +40,15 @@ - - - - - - - - - - + + + + + + + + + diff --git a/tests/solids/diamondC_1x1x1_pp/det_qmc_input_check_no_ham.in.xml b/tests/solids/diamondC_1x1x1_pp/det_qmc_input_check_no_ham.in.xml index 0e919c85a5..ec3c4ccf84 100644 --- a/tests/solids/diamondC_1x1x1_pp/det_qmc_input_check_no_ham.in.xml +++ b/tests/solids/diamondC_1x1x1_pp/det_qmc_input_check_no_ham.in.xml @@ -40,16 +40,15 @@ - - - - - - - - - - + + + + + + + + + diff --git a/tests/solids/diamondC_1x1x1_pp/det_qmc_input_check_no_pp.xml b/tests/solids/diamondC_1x1x1_pp/det_qmc_input_check_no_pp.xml index 5e12f4e7a7..b00f408ec8 100644 --- a/tests/solids/diamondC_1x1x1_pp/det_qmc_input_check_no_pp.xml +++ b/tests/solids/diamondC_1x1x1_pp/det_qmc_input_check_no_pp.xml @@ -40,16 +40,15 @@ - - - - - - - - - - + + + + + + + + + diff --git a/tests/solids/diamondC_1x1x1_pp/det_qmc_input_check_no_pset.in.xml b/tests/solids/diamondC_1x1x1_pp/det_qmc_input_check_no_pset.in.xml index c7e4723ef1..bfaf7b8d4a 100644 --- a/tests/solids/diamondC_1x1x1_pp/det_qmc_input_check_no_pset.in.xml +++ b/tests/solids/diamondC_1x1x1_pp/det_qmc_input_check_no_pset.in.xml @@ -18,16 +18,15 @@ 15 - - - - - - - - - - + + + + + + + + + diff --git a/tests/solids/diamondC_1x1x1_pp/det_qmc_input_check_no_qmc.in.xml b/tests/solids/diamondC_1x1x1_pp/det_qmc_input_check_no_qmc.in.xml index 02502d6d3e..59b6802f90 100644 --- a/tests/solids/diamondC_1x1x1_pp/det_qmc_input_check_no_qmc.in.xml +++ b/tests/solids/diamondC_1x1x1_pp/det_qmc_input_check_no_qmc.in.xml @@ -40,16 +40,15 @@ - - - - - - - - - - + + + + + + + + + diff --git a/tests/solids/diamondC_1x1x1_pp/det_qmc_input_check_no_splineh5.xml b/tests/solids/diamondC_1x1x1_pp/det_qmc_input_check_no_splineh5.xml index 5701ad8f50..f6762b0c02 100644 --- a/tests/solids/diamondC_1x1x1_pp/det_qmc_input_check_no_splineh5.xml +++ b/tests/solids/diamondC_1x1x1_pp/det_qmc_input_check_no_splineh5.xml @@ -40,15 +40,14 @@ - - - - - - - - - + + + + + + + + diff --git a/tests/solids/diamondC_1x1x1_pp/det_qmc_momentum_short.in.xml b/tests/solids/diamondC_1x1x1_pp/det_qmc_momentum_short.in.xml index bd36a17f92..d8a7306dc6 100644 --- a/tests/solids/diamondC_1x1x1_pp/det_qmc_momentum_short.in.xml +++ b/tests/solids/diamondC_1x1x1_pp/det_qmc_momentum_short.in.xml @@ -39,16 +39,15 @@ - - - - - - - - - - + + + + + + + + + diff --git a/tests/solids/diamondC_1x1x1_pp/det_qmc_momentum_short_vmc_dmc.in.xml b/tests/solids/diamondC_1x1x1_pp/det_qmc_momentum_short_vmc_dmc.in.xml index 721fa82fc4..c7e118f610 100644 --- a/tests/solids/diamondC_1x1x1_pp/det_qmc_momentum_short_vmc_dmc.in.xml +++ b/tests/solids/diamondC_1x1x1_pp/det_qmc_momentum_short_vmc_dmc.in.xml @@ -39,16 +39,15 @@ - - - - - - - - - - + + + + + + + + + diff --git a/tests/solids/diamondC_1x1x1_pp/det_qmc_param_grad.xml b/tests/solids/diamondC_1x1x1_pp/det_qmc_param_grad.xml index 6b7eb34365..50f6fe435d 100644 --- a/tests/solids/diamondC_1x1x1_pp/det_qmc_param_grad.xml +++ b/tests/solids/diamondC_1x1x1_pp/det_qmc_param_grad.xml @@ -40,16 +40,15 @@ - - - - - - - - - - + + + + + + + + + diff --git a/tests/solids/diamondC_1x1x1_pp/det_qmc_param_grad_legacy_driver.xml b/tests/solids/diamondC_1x1x1_pp/det_qmc_param_grad_legacy_driver.xml index 5f133e94b2..be098f503d 100644 --- a/tests/solids/diamondC_1x1x1_pp/det_qmc_param_grad_legacy_driver.xml +++ b/tests/solids/diamondC_1x1x1_pp/det_qmc_param_grad_legacy_driver.xml @@ -39,16 +39,15 @@ - - - - - - - - - - + + + + + + + + + diff --git a/tests/solids/diamondC_1x1x1_pp/det_qmc_short-meshf.in.xml b/tests/solids/diamondC_1x1x1_pp/det_qmc_short-meshf.in.xml index 4157dae633..52878592cc 100644 --- a/tests/solids/diamondC_1x1x1_pp/det_qmc_short-meshf.in.xml +++ b/tests/solids/diamondC_1x1x1_pp/det_qmc_short-meshf.in.xml @@ -39,16 +39,15 @@ - - - - - - - - - - + + + + + + + + + diff --git a/tests/solids/diamondC_1x1x1_pp/det_qmc_short.in.xml b/tests/solids/diamondC_1x1x1_pp/det_qmc_short.in.xml index ae27a332dc..f8b71e88ff 100644 --- a/tests/solids/diamondC_1x1x1_pp/det_qmc_short.in.xml +++ b/tests/solids/diamondC_1x1x1_pp/det_qmc_short.in.xml @@ -39,16 +39,15 @@ - - - - - - - - - - + + + + + + + + + diff --git a/tests/solids/diamondC_1x1x1_pp/det_qmc_short_excited.in.xml b/tests/solids/diamondC_1x1x1_pp/det_qmc_short_excited.in.xml index beb9ce0d9c..33e1b62792 100644 --- a/tests/solids/diamondC_1x1x1_pp/det_qmc_short_excited.in.xml +++ b/tests/solids/diamondC_1x1x1_pp/det_qmc_short_excited.in.xml @@ -39,18 +39,20 @@ - - - - - -4 5 - - - - - - - + + + + -4 5 + + + + + + + + + + diff --git a/tests/solids/diamondC_1x1x1_pp/det_qmc_short_kspace.in.xml b/tests/solids/diamondC_1x1x1_pp/det_qmc_short_kspace.in.xml index d89ca29ec2..466ac6e2d9 100644 --- a/tests/solids/diamondC_1x1x1_pp/det_qmc_short_kspace.in.xml +++ b/tests/solids/diamondC_1x1x1_pp/det_qmc_short_kspace.in.xml @@ -39,16 +39,15 @@ - - - - - - - - - - + + + + + + + + + diff --git a/tests/solids/diamondC_1x1x1_pp/det_qmc_short_vmc_dmc.in.xml b/tests/solids/diamondC_1x1x1_pp/det_qmc_short_vmc_dmc.in.xml index 47a7eeccea..7a04f4a7a1 100644 --- a/tests/solids/diamondC_1x1x1_pp/det_qmc_short_vmc_dmc.in.xml +++ b/tests/solids/diamondC_1x1x1_pp/det_qmc_short_vmc_dmc.in.xml @@ -39,16 +39,15 @@ - - - - - - - - - - + + + + + + + + + diff --git a/tests/solids/diamondC_1x1x1_pp/det_qmc_short_vmc_dmc_excited.in.xml b/tests/solids/diamondC_1x1x1_pp/det_qmc_short_vmc_dmc_excited.in.xml index 549c3e7faf..5bbf01ae67 100644 --- a/tests/solids/diamondC_1x1x1_pp/det_qmc_short_vmc_dmc_excited.in.xml +++ b/tests/solids/diamondC_1x1x1_pp/det_qmc_short_vmc_dmc_excited.in.xml @@ -39,18 +39,20 @@ - - - - - -4 5 - - - - - - - + + + + -4 5 + + + + + + + + + + diff --git a/tests/solids/diamondC_1x1x1_pp/det_qmc_short_vmc_dmc_lg_ts.in.xml b/tests/solids/diamondC_1x1x1_pp/det_qmc_short_vmc_dmc_lg_ts.in.xml index de8a50adde..b9f2ba523a 100644 --- a/tests/solids/diamondC_1x1x1_pp/det_qmc_short_vmc_dmc_lg_ts.in.xml +++ b/tests/solids/diamondC_1x1x1_pp/det_qmc_short_vmc_dmc_lg_ts.in.xml @@ -39,16 +39,15 @@ - - - - - - - - - - + + + + + + + + + diff --git a/tests/solids/diamondC_1x1x1_pp/det_qmc_short_vmc_dmc_mwalkers.in.xml b/tests/solids/diamondC_1x1x1_pp/det_qmc_short_vmc_dmc_mwalkers.in.xml index b3c47c094c..0dc891f373 100644 --- a/tests/solids/diamondC_1x1x1_pp/det_qmc_short_vmc_dmc_mwalkers.in.xml +++ b/tests/solids/diamondC_1x1x1_pp/det_qmc_short_vmc_dmc_mwalkers.in.xml @@ -39,16 +39,15 @@ - - - - - - - - - - + + + + + + + + + diff --git a/tests/solids/diamondC_1x1x1_pp/det_qmc_short_vmc_dmc_mwalkers_with_checks.in.xml b/tests/solids/diamondC_1x1x1_pp/det_qmc_short_vmc_dmc_mwalkers_with_checks.in.xml index 54e2f5e218..1db299e806 100644 --- a/tests/solids/diamondC_1x1x1_pp/det_qmc_short_vmc_dmc_mwalkers_with_checks.in.xml +++ b/tests/solids/diamondC_1x1x1_pp/det_qmc_short_vmc_dmc_mwalkers_with_checks.in.xml @@ -39,16 +39,15 @@ - - - - - - - - - - + + + + + + + + + diff --git a/tests/solids/diamondC_1x1x1_pp/det_qmc_short_vmc_multi_dmc.in.xml b/tests/solids/diamondC_1x1x1_pp/det_qmc_short_vmc_multi_dmc.in.xml index 9d0ff4d6ea..c3cf538ba7 100644 --- a/tests/solids/diamondC_1x1x1_pp/det_qmc_short_vmc_multi_dmc.in.xml +++ b/tests/solids/diamondC_1x1x1_pp/det_qmc_short_vmc_multi_dmc.in.xml @@ -39,16 +39,15 @@ - - - - - - - - - - + + + + + + + + + diff --git a/tests/solids/diamondC_1x1x1_pp/det_qmc_spindens_short.in.xml b/tests/solids/diamondC_1x1x1_pp/det_qmc_spindens_short.in.xml index b27ea82cae..67aab3631e 100644 --- a/tests/solids/diamondC_1x1x1_pp/det_qmc_spindens_short.in.xml +++ b/tests/solids/diamondC_1x1x1_pp/det_qmc_spindens_short.in.xml @@ -39,16 +39,15 @@ - - - - - - - - - - + + + + + + + + + diff --git a/tests/solids/diamondC_1x1x1_pp/det_qmc_spindens_short_mw.in.xml b/tests/solids/diamondC_1x1x1_pp/det_qmc_spindens_short_mw.in.xml index 0701cf0b98..603f3b9c11 100644 --- a/tests/solids/diamondC_1x1x1_pp/det_qmc_spindens_short_mw.in.xml +++ b/tests/solids/diamondC_1x1x1_pp/det_qmc_spindens_short_mw.in.xml @@ -39,16 +39,15 @@ - - - - - - - - - - + + + + + + + + + diff --git a/tests/solids/diamondC_1x1x1_pp/det_qmc_spindens_short_vmc_dmc.in.xml b/tests/solids/diamondC_1x1x1_pp/det_qmc_spindens_short_vmc_dmc.in.xml index 3b7fa7b0af..e52fb785b2 100644 --- a/tests/solids/diamondC_1x1x1_pp/det_qmc_spindens_short_vmc_dmc.in.xml +++ b/tests/solids/diamondC_1x1x1_pp/det_qmc_spindens_short_vmc_dmc.in.xml @@ -39,16 +39,15 @@ - - - - - - - - - - + + + + + + + + + diff --git a/tests/solids/diamondC_1x1x1_pp/det_qmc_spindens_short_vmc_rmc.in.xml b/tests/solids/diamondC_1x1x1_pp/det_qmc_spindens_short_vmc_rmc.in.xml index b0bb93cbc7..f34982f859 100644 --- a/tests/solids/diamondC_1x1x1_pp/det_qmc_spindens_short_vmc_rmc.in.xml +++ b/tests/solids/diamondC_1x1x1_pp/det_qmc_spindens_short_vmc_rmc.in.xml @@ -39,16 +39,15 @@ - - - - - - - - - - + + + + + + + + + diff --git a/tests/solids/diamondC_1x1x1_pp/det_qmc_spindens_short_vmcbatched.in.xml b/tests/solids/diamondC_1x1x1_pp/det_qmc_spindens_short_vmcbatched.in.xml index ae5eb9f969..15c4c8e2a6 100644 --- a/tests/solids/diamondC_1x1x1_pp/det_qmc_spindens_short_vmcbatched.in.xml +++ b/tests/solids/diamondC_1x1x1_pp/det_qmc_spindens_short_vmcbatched.in.xml @@ -40,16 +40,15 @@ - - - - - - - - - - + + + + + + + + + diff --git a/tests/solids/diamondC_1x1x1_pp/det_qmc_vmc_dmc_tm.in.xml b/tests/solids/diamondC_1x1x1_pp/det_qmc_vmc_dmc_tm.in.xml index e154592e53..6ee1aa8af4 100644 --- a/tests/solids/diamondC_1x1x1_pp/det_qmc_vmc_dmc_tm.in.xml +++ b/tests/solids/diamondC_1x1x1_pp/det_qmc_vmc_dmc_tm.in.xml @@ -39,16 +39,15 @@ - - - - - - - - - - + + + + + + + + + diff --git a/tests/solids/diamondC_1x1x1_pp/det_qmc_vmc_dmc_tm_gpu.in.xml b/tests/solids/diamondC_1x1x1_pp/det_qmc_vmc_dmc_tm_gpu.in.xml index 0efa07cd17..e692ba24c1 100644 --- a/tests/solids/diamondC_1x1x1_pp/det_qmc_vmc_dmc_tm_gpu.in.xml +++ b/tests/solids/diamondC_1x1x1_pp/det_qmc_vmc_dmc_tm_gpu.in.xml @@ -39,16 +39,15 @@ - - - - - - - - - - + + + + + + + + + diff --git a/tests/solids/diamondC_1x1x1_pp/det_qmc_vmcbatch_dmcbatch_tm.in.xml b/tests/solids/diamondC_1x1x1_pp/det_qmc_vmcbatch_dmcbatch_tm.in.xml index ee91b8343e..dfba17e011 100644 --- a/tests/solids/diamondC_1x1x1_pp/det_qmc_vmcbatch_dmcbatch_tm.in.xml +++ b/tests/solids/diamondC_1x1x1_pp/det_qmc_vmcbatch_dmcbatch_tm.in.xml @@ -40,16 +40,15 @@ - - - - - - - - - - + + + + + + + + + diff --git a/tests/solids/diamondC_1x1x1_pp/qmc_1rdm_J2_long.in.xml b/tests/solids/diamondC_1x1x1_pp/qmc_1rdm_J2_long.in.xml index a16c921c71..ddd01c72d5 100644 --- a/tests/solids/diamondC_1x1x1_pp/qmc_1rdm_J2_long.in.xml +++ b/tests/solids/diamondC_1x1x1_pp/qmc_1rdm_J2_long.in.xml @@ -38,14 +38,14 @@ - + - + - - + + diff --git a/tests/solids/diamondC_1x1x1_pp/qmc_1rdm_J2_short.in.xml b/tests/solids/diamondC_1x1x1_pp/qmc_1rdm_J2_short.in.xml index 75116f575b..a707ca170c 100644 --- a/tests/solids/diamondC_1x1x1_pp/qmc_1rdm_J2_short.in.xml +++ b/tests/solids/diamondC_1x1x1_pp/qmc_1rdm_J2_short.in.xml @@ -38,14 +38,14 @@ - + - + - - + + diff --git a/tests/solids/diamondC_1x1x1_pp/qmc_1rdm_noJ_long.in.xml b/tests/solids/diamondC_1x1x1_pp/qmc_1rdm_noJ_long.in.xml index 0d19262842..78e55575d7 100644 --- a/tests/solids/diamondC_1x1x1_pp/qmc_1rdm_noJ_long.in.xml +++ b/tests/solids/diamondC_1x1x1_pp/qmc_1rdm_noJ_long.in.xml @@ -38,14 +38,14 @@ - + - + - - + + diff --git a/tests/solids/diamondC_1x1x1_pp/qmc_1rdm_noJ_short.in.xml b/tests/solids/diamondC_1x1x1_pp/qmc_1rdm_noJ_short.in.xml index 0da78059fa..7db02fff19 100644 --- a/tests/solids/diamondC_1x1x1_pp/qmc_1rdm_noJ_short.in.xml +++ b/tests/solids/diamondC_1x1x1_pp/qmc_1rdm_noJ_short.in.xml @@ -38,14 +38,14 @@ - + - + - - + + diff --git a/tests/solids/diamondC_1x1x1_pp/qmc_cpu_limit_dmc.xml b/tests/solids/diamondC_1x1x1_pp/qmc_cpu_limit_dmc.xml index 9bb7a278f5..cae4f63262 100644 --- a/tests/solids/diamondC_1x1x1_pp/qmc_cpu_limit_dmc.xml +++ b/tests/solids/diamondC_1x1x1_pp/qmc_cpu_limit_dmc.xml @@ -38,16 +38,15 @@ - - - - - - - - - - + + + + + + + + + diff --git a/tests/solids/diamondC_1x1x1_pp/qmc_cpu_limit_vmc.xml b/tests/solids/diamondC_1x1x1_pp/qmc_cpu_limit_vmc.xml index 9e1d721632..b87c9178eb 100644 --- a/tests/solids/diamondC_1x1x1_pp/qmc_cpu_limit_vmc.xml +++ b/tests/solids/diamondC_1x1x1_pp/qmc_cpu_limit_vmc.xml @@ -38,16 +38,15 @@ - - - - - - - - - - + + + + + + + + + diff --git a/tests/solids/diamondC_1x1x1_pp/qmc_dens_dmc_long.in.xml b/tests/solids/diamondC_1x1x1_pp/qmc_dens_dmc_long.in.xml index db29949df4..69bd18a4c4 100644 --- a/tests/solids/diamondC_1x1x1_pp/qmc_dens_dmc_long.in.xml +++ b/tests/solids/diamondC_1x1x1_pp/qmc_dens_dmc_long.in.xml @@ -38,16 +38,15 @@ - - - - - - - - - - + + + + + + + + + diff --git a/tests/solids/diamondC_1x1x1_pp/qmc_dens_dmc_short.in.xml b/tests/solids/diamondC_1x1x1_pp/qmc_dens_dmc_short.in.xml index 9c351693bb..027fd9786e 100644 --- a/tests/solids/diamondC_1x1x1_pp/qmc_dens_dmc_short.in.xml +++ b/tests/solids/diamondC_1x1x1_pp/qmc_dens_dmc_short.in.xml @@ -38,16 +38,15 @@ - - - - - - - - - - + + + + + + + + + diff --git a/tests/solids/diamondC_1x1x1_pp/qmc_dens_long.in.xml b/tests/solids/diamondC_1x1x1_pp/qmc_dens_long.in.xml index 59105c4898..2d505105f4 100644 --- a/tests/solids/diamondC_1x1x1_pp/qmc_dens_long.in.xml +++ b/tests/solids/diamondC_1x1x1_pp/qmc_dens_long.in.xml @@ -38,16 +38,15 @@ - - - - - - - - - - + + + + + + + + + diff --git a/tests/solids/diamondC_1x1x1_pp/qmc_dens_long_gpu.in.xml b/tests/solids/diamondC_1x1x1_pp/qmc_dens_long_gpu.in.xml index 4fadb786ef..042329f4cf 100644 --- a/tests/solids/diamondC_1x1x1_pp/qmc_dens_long_gpu.in.xml +++ b/tests/solids/diamondC_1x1x1_pp/qmc_dens_long_gpu.in.xml @@ -38,16 +38,15 @@ - - - - - - - - - - + + + + + + + + + diff --git a/tests/solids/diamondC_1x1x1_pp/qmc_dens_rmc_long.in.xml b/tests/solids/diamondC_1x1x1_pp/qmc_dens_rmc_long.in.xml index dec0ff84d8..a282a7711d 100644 --- a/tests/solids/diamondC_1x1x1_pp/qmc_dens_rmc_long.in.xml +++ b/tests/solids/diamondC_1x1x1_pp/qmc_dens_rmc_long.in.xml @@ -38,16 +38,15 @@ - - - - - - - - - - + + + + + + + + + diff --git a/tests/solids/diamondC_1x1x1_pp/qmc_dens_rmc_short.in.xml b/tests/solids/diamondC_1x1x1_pp/qmc_dens_rmc_short.in.xml index 15e60f94b1..a32037df1e 100644 --- a/tests/solids/diamondC_1x1x1_pp/qmc_dens_rmc_short.in.xml +++ b/tests/solids/diamondC_1x1x1_pp/qmc_dens_rmc_short.in.xml @@ -38,16 +38,15 @@ - - - - - - - - - - + + + + + + + + + diff --git a/tests/solids/diamondC_1x1x1_pp/qmc_dens_short.in.xml b/tests/solids/diamondC_1x1x1_pp/qmc_dens_short.in.xml index 3a48627039..c82402b009 100644 --- a/tests/solids/diamondC_1x1x1_pp/qmc_dens_short.in.xml +++ b/tests/solids/diamondC_1x1x1_pp/qmc_dens_short.in.xml @@ -38,16 +38,15 @@ - - - - - - - - - - + + + + + + + + + diff --git a/tests/solids/diamondC_1x1x1_pp/qmc_dens_short_gpu.in.xml b/tests/solids/diamondC_1x1x1_pp/qmc_dens_short_gpu.in.xml index 6db74fa325..9ec3f2470b 100644 --- a/tests/solids/diamondC_1x1x1_pp/qmc_dens_short_gpu.in.xml +++ b/tests/solids/diamondC_1x1x1_pp/qmc_dens_short_gpu.in.xml @@ -38,16 +38,15 @@ - - - - - - - - - - + + + + + + + + + diff --git a/tests/solids/diamondC_1x1x1_pp/qmc_edens_cell_dmc_long.in.xml b/tests/solids/diamondC_1x1x1_pp/qmc_edens_cell_dmc_long.in.xml index cb602ea4a9..1ce53ca5d7 100644 --- a/tests/solids/diamondC_1x1x1_pp/qmc_edens_cell_dmc_long.in.xml +++ b/tests/solids/diamondC_1x1x1_pp/qmc_edens_cell_dmc_long.in.xml @@ -38,16 +38,15 @@ - - - - - - - - - - + + + + + + + + + diff --git a/tests/solids/diamondC_1x1x1_pp/qmc_edens_cell_dmc_short.in.xml b/tests/solids/diamondC_1x1x1_pp/qmc_edens_cell_dmc_short.in.xml index adbc0f96a0..77c4602ea1 100644 --- a/tests/solids/diamondC_1x1x1_pp/qmc_edens_cell_dmc_short.in.xml +++ b/tests/solids/diamondC_1x1x1_pp/qmc_edens_cell_dmc_short.in.xml @@ -38,16 +38,15 @@ - - - - - - - - - - + + + + + + + + + diff --git a/tests/solids/diamondC_1x1x1_pp/qmc_edens_cell_long.in.xml b/tests/solids/diamondC_1x1x1_pp/qmc_edens_cell_long.in.xml index 9f84150b15..6fc360228e 100644 --- a/tests/solids/diamondC_1x1x1_pp/qmc_edens_cell_long.in.xml +++ b/tests/solids/diamondC_1x1x1_pp/qmc_edens_cell_long.in.xml @@ -38,16 +38,15 @@ - - - - - - - - - - + + + + + + + + + diff --git a/tests/solids/diamondC_1x1x1_pp/qmc_edens_cell_short.in.xml b/tests/solids/diamondC_1x1x1_pp/qmc_edens_cell_short.in.xml index 02172c834b..f3d4a75bb5 100644 --- a/tests/solids/diamondC_1x1x1_pp/qmc_edens_cell_short.in.xml +++ b/tests/solids/diamondC_1x1x1_pp/qmc_edens_cell_short.in.xml @@ -38,16 +38,15 @@ - - - - - - - - - - + + + + + + + + + diff --git a/tests/solids/diamondC_1x1x1_pp/qmc_edens_vor_long.in.xml b/tests/solids/diamondC_1x1x1_pp/qmc_edens_vor_long.in.xml index 1a9634b104..c1ab90a660 100644 --- a/tests/solids/diamondC_1x1x1_pp/qmc_edens_vor_long.in.xml +++ b/tests/solids/diamondC_1x1x1_pp/qmc_edens_vor_long.in.xml @@ -38,16 +38,15 @@ - - - - - - - - - - + + + + + + + + + diff --git a/tests/solids/diamondC_1x1x1_pp/qmc_edens_vor_short.in.xml b/tests/solids/diamondC_1x1x1_pp/qmc_edens_vor_short.in.xml index 16c44c8550..6ae156ff1c 100644 --- a/tests/solids/diamondC_1x1x1_pp/qmc_edens_vor_short.in.xml +++ b/tests/solids/diamondC_1x1x1_pp/qmc_edens_vor_short.in.xml @@ -38,16 +38,15 @@ - - - - - - - - - - + + + + + + + + + diff --git a/tests/solids/diamondC_1x1x1_pp/qmc_long-meshf.in.xml b/tests/solids/diamondC_1x1x1_pp/qmc_long-meshf.in.xml index bb2d7e0c84..c857232119 100644 --- a/tests/solids/diamondC_1x1x1_pp/qmc_long-meshf.in.xml +++ b/tests/solids/diamondC_1x1x1_pp/qmc_long-meshf.in.xml @@ -38,16 +38,15 @@ - - - - - - - - - - + + + + + + + + + diff --git a/tests/solids/diamondC_1x1x1_pp/qmc_long.in.xml b/tests/solids/diamondC_1x1x1_pp/qmc_long.in.xml index 994323bcbb..557a701476 100644 --- a/tests/solids/diamondC_1x1x1_pp/qmc_long.in.xml +++ b/tests/solids/diamondC_1x1x1_pp/qmc_long.in.xml @@ -38,16 +38,15 @@ - - - - - - - - - - + + + + + + + + + diff --git a/tests/solids/diamondC_1x1x1_pp/qmc_long_excited.in.xml b/tests/solids/diamondC_1x1x1_pp/qmc_long_excited.in.xml index 728e662669..9f1cd37f8b 100644 --- a/tests/solids/diamondC_1x1x1_pp/qmc_long_excited.in.xml +++ b/tests/solids/diamondC_1x1x1_pp/qmc_long_excited.in.xml @@ -38,18 +38,20 @@ - - - - - -4 5 - - - - - - - + + + + -4 5 + + + + + + + + + + diff --git a/tests/solids/diamondC_1x1x1_pp/qmc_long_kspace.in.xml b/tests/solids/diamondC_1x1x1_pp/qmc_long_kspace.in.xml index 81d06c3661..f87898cf35 100644 --- a/tests/solids/diamondC_1x1x1_pp/qmc_long_kspace.in.xml +++ b/tests/solids/diamondC_1x1x1_pp/qmc_long_kspace.in.xml @@ -38,16 +38,15 @@ - - - - - - - - - - + + + + + + + + + diff --git a/tests/solids/diamondC_1x1x1_pp/qmc_long_vmc_dmc.in.xml b/tests/solids/diamondC_1x1x1_pp/qmc_long_vmc_dmc.in.xml index 5a95e6f908..9222555b07 100644 --- a/tests/solids/diamondC_1x1x1_pp/qmc_long_vmc_dmc.in.xml +++ b/tests/solids/diamondC_1x1x1_pp/qmc_long_vmc_dmc.in.xml @@ -38,16 +38,15 @@ - - - - - - - - - - + + + + + + + + + diff --git a/tests/solids/diamondC_1x1x1_pp/qmc_long_vmc_dmc_allp.in.xml b/tests/solids/diamondC_1x1x1_pp/qmc_long_vmc_dmc_allp.in.xml index 05a2766f87..1ed440768b 100644 --- a/tests/solids/diamondC_1x1x1_pp/qmc_long_vmc_dmc_allp.in.xml +++ b/tests/solids/diamondC_1x1x1_pp/qmc_long_vmc_dmc_allp.in.xml @@ -38,16 +38,15 @@ - - - - - - - - - - + + + + + + + + + diff --git a/tests/solids/diamondC_1x1x1_pp/qmc_long_vmc_dmc_excited.in.xml b/tests/solids/diamondC_1x1x1_pp/qmc_long_vmc_dmc_excited.in.xml index a1ca2a3827..78632e7292 100644 --- a/tests/solids/diamondC_1x1x1_pp/qmc_long_vmc_dmc_excited.in.xml +++ b/tests/solids/diamondC_1x1x1_pp/qmc_long_vmc_dmc_excited.in.xml @@ -38,18 +38,20 @@ - - - - - -4 5 - - - - - - - + + + + -4 5 + + + + + + + + + + diff --git a/tests/solids/diamondC_1x1x1_pp/qmc_short-meshf.in.xml b/tests/solids/diamondC_1x1x1_pp/qmc_short-meshf.in.xml index 8b7a4a8985..4dd71d4b59 100644 --- a/tests/solids/diamondC_1x1x1_pp/qmc_short-meshf.in.xml +++ b/tests/solids/diamondC_1x1x1_pp/qmc_short-meshf.in.xml @@ -38,16 +38,15 @@ - - - - - - - - - - + + + + + + + + + diff --git a/tests/solids/diamondC_1x1x1_pp/qmc_short.in.xml b/tests/solids/diamondC_1x1x1_pp/qmc_short.in.xml index 65e0eb4aeb..e64cb4fb6d 100644 --- a/tests/solids/diamondC_1x1x1_pp/qmc_short.in.xml +++ b/tests/solids/diamondC_1x1x1_pp/qmc_short.in.xml @@ -38,16 +38,15 @@ - - - - - - - - - - + + + + + + + + + diff --git a/tests/solids/diamondC_1x1x1_pp/qmc_short_excited.in.xml b/tests/solids/diamondC_1x1x1_pp/qmc_short_excited.in.xml index 4fd5cee427..75c4d84013 100644 --- a/tests/solids/diamondC_1x1x1_pp/qmc_short_excited.in.xml +++ b/tests/solids/diamondC_1x1x1_pp/qmc_short_excited.in.xml @@ -38,18 +38,20 @@ - - - - - -4 5 - - - - - - - + + + + -4 5 + + + + + + + + + + diff --git a/tests/solids/diamondC_1x1x1_pp/qmc_short_hybridrep.in.xml b/tests/solids/diamondC_1x1x1_pp/qmc_short_hybridrep.in.xml index bc6a203fe0..c9d391241e 100644 --- a/tests/solids/diamondC_1x1x1_pp/qmc_short_hybridrep.in.xml +++ b/tests/solids/diamondC_1x1x1_pp/qmc_short_hybridrep.in.xml @@ -42,16 +42,15 @@ - - - - - - - - - - + + + + + + + + + diff --git a/tests/solids/diamondC_1x1x1_pp/qmc_short_kspace.in.xml b/tests/solids/diamondC_1x1x1_pp/qmc_short_kspace.in.xml index 61aaa22ac5..929099e04b 100644 --- a/tests/solids/diamondC_1x1x1_pp/qmc_short_kspace.in.xml +++ b/tests/solids/diamondC_1x1x1_pp/qmc_short_kspace.in.xml @@ -38,16 +38,15 @@ - - - - - - - - - - + + + + + + + + + diff --git a/tests/solids/diamondC_1x1x1_pp/qmc_short_kspace_4_4.in.xml b/tests/solids/diamondC_1x1x1_pp/qmc_short_kspace_4_4.in.xml index 6b4d0e8411..193932fe73 100644 --- a/tests/solids/diamondC_1x1x1_pp/qmc_short_kspace_4_4.in.xml +++ b/tests/solids/diamondC_1x1x1_pp/qmc_short_kspace_4_4.in.xml @@ -38,16 +38,15 @@ - - - - - - - - - - + + + + + + + + + diff --git a/tests/solids/diamondC_1x1x1_pp/qmc_short_opt.in.xml b/tests/solids/diamondC_1x1x1_pp/qmc_short_opt.in.xml index 31bc271494..ce1f656376 100644 --- a/tests/solids/diamondC_1x1x1_pp/qmc_short_opt.in.xml +++ b/tests/solids/diamondC_1x1x1_pp/qmc_short_opt.in.xml @@ -38,16 +38,15 @@ - - - - - - - - - - + + + + + + + + + diff --git a/tests/solids/diamondC_1x1x1_pp/qmc_short_optbatch.in.xml b/tests/solids/diamondC_1x1x1_pp/qmc_short_optbatch.in.xml index 3dbc8b9477..8c4a4e09e2 100644 --- a/tests/solids/diamondC_1x1x1_pp/qmc_short_optbatch.in.xml +++ b/tests/solids/diamondC_1x1x1_pp/qmc_short_optbatch.in.xml @@ -39,16 +39,15 @@ - - - - - - - - - - + + + + + + + + + diff --git a/tests/solids/diamondC_1x1x1_pp/qmc_short_vmc_dmc.in.xml b/tests/solids/diamondC_1x1x1_pp/qmc_short_vmc_dmc.in.xml index e46416c620..25bb68b5a3 100644 --- a/tests/solids/diamondC_1x1x1_pp/qmc_short_vmc_dmc.in.xml +++ b/tests/solids/diamondC_1x1x1_pp/qmc_short_vmc_dmc.in.xml @@ -38,16 +38,15 @@ - - - - - - - - - - + + + + + + + + + diff --git a/tests/solids/diamondC_1x1x1_pp/qmc_short_vmc_dmc_allp.in.xml b/tests/solids/diamondC_1x1x1_pp/qmc_short_vmc_dmc_allp.in.xml index a57d36b2bd..c002b84377 100644 --- a/tests/solids/diamondC_1x1x1_pp/qmc_short_vmc_dmc_allp.in.xml +++ b/tests/solids/diamondC_1x1x1_pp/qmc_short_vmc_dmc_allp.in.xml @@ -38,16 +38,15 @@ - - - - - - - - - - + + + + + + + + + diff --git a/tests/solids/diamondC_1x1x1_pp/qmc_short_vmc_dmc_coverage.in.xml b/tests/solids/diamondC_1x1x1_pp/qmc_short_vmc_dmc_coverage.in.xml index c7bccfcf17..830e191c2e 100644 --- a/tests/solids/diamondC_1x1x1_pp/qmc_short_vmc_dmc_coverage.in.xml +++ b/tests/solids/diamondC_1x1x1_pp/qmc_short_vmc_dmc_coverage.in.xml @@ -38,16 +38,15 @@ - - - - - - - - - - + + + + + + + + + diff --git a/tests/solids/diamondC_1x1x1_pp/qmc_short_vmc_dmc_excited.in.xml b/tests/solids/diamondC_1x1x1_pp/qmc_short_vmc_dmc_excited.in.xml index 4215a2b9a9..7e6f256d4c 100644 --- a/tests/solids/diamondC_1x1x1_pp/qmc_short_vmc_dmc_excited.in.xml +++ b/tests/solids/diamondC_1x1x1_pp/qmc_short_vmc_dmc_excited.in.xml @@ -38,18 +38,20 @@ - - - - - -4 5 - - - - - - - + + + + -4 5 + + + + + + + + + + diff --git a/tests/solids/diamondC_1x1x1_pp/qmc_spindens_dmc_long.in.xml b/tests/solids/diamondC_1x1x1_pp/qmc_spindens_dmc_long.in.xml index d4c7fc62d8..0a6f2eb526 100644 --- a/tests/solids/diamondC_1x1x1_pp/qmc_spindens_dmc_long.in.xml +++ b/tests/solids/diamondC_1x1x1_pp/qmc_spindens_dmc_long.in.xml @@ -38,16 +38,15 @@ - - - - - - - - - - + + + + + + + + + diff --git a/tests/solids/diamondC_1x1x1_pp/qmc_spindens_dmc_short.in.xml b/tests/solids/diamondC_1x1x1_pp/qmc_spindens_dmc_short.in.xml index 30210035ab..a60443605f 100644 --- a/tests/solids/diamondC_1x1x1_pp/qmc_spindens_dmc_short.in.xml +++ b/tests/solids/diamondC_1x1x1_pp/qmc_spindens_dmc_short.in.xml @@ -38,16 +38,15 @@ - - - - - - - - - - + + + + + + + + + diff --git a/tests/solids/diamondC_1x1x1_pp/qmc_spindens_long.in.xml b/tests/solids/diamondC_1x1x1_pp/qmc_spindens_long.in.xml index 0d27ed3b84..0b19fd1f32 100644 --- a/tests/solids/diamondC_1x1x1_pp/qmc_spindens_long.in.xml +++ b/tests/solids/diamondC_1x1x1_pp/qmc_spindens_long.in.xml @@ -38,16 +38,15 @@ - - - - - - - - - - + + + + + + + + + diff --git a/tests/solids/diamondC_1x1x1_pp/qmc_spindens_long_gpu.in.xml b/tests/solids/diamondC_1x1x1_pp/qmc_spindens_long_gpu.in.xml index e6849a7aa9..d8f7fb6178 100644 --- a/tests/solids/diamondC_1x1x1_pp/qmc_spindens_long_gpu.in.xml +++ b/tests/solids/diamondC_1x1x1_pp/qmc_spindens_long_gpu.in.xml @@ -38,16 +38,15 @@ - - - - - - - - - - + + + + + + + + + diff --git a/tests/solids/diamondC_1x1x1_pp/qmc_spindens_rmc_long.in.xml b/tests/solids/diamondC_1x1x1_pp/qmc_spindens_rmc_long.in.xml index c9cce6ad5d..d428d8a80e 100644 --- a/tests/solids/diamondC_1x1x1_pp/qmc_spindens_rmc_long.in.xml +++ b/tests/solids/diamondC_1x1x1_pp/qmc_spindens_rmc_long.in.xml @@ -38,16 +38,15 @@ - - - - - - - - - - + + + + + + + + + diff --git a/tests/solids/diamondC_1x1x1_pp/qmc_spindens_rmc_short.in.xml b/tests/solids/diamondC_1x1x1_pp/qmc_spindens_rmc_short.in.xml index ed56af18ac..ab1a24120c 100644 --- a/tests/solids/diamondC_1x1x1_pp/qmc_spindens_rmc_short.in.xml +++ b/tests/solids/diamondC_1x1x1_pp/qmc_spindens_rmc_short.in.xml @@ -38,16 +38,15 @@ - - - - - - - - - - + + + + + + + + + diff --git a/tests/solids/diamondC_1x1x1_pp/qmc_spindens_short.in.xml b/tests/solids/diamondC_1x1x1_pp/qmc_spindens_short.in.xml index 00d22cff72..1582a45ae8 100644 --- a/tests/solids/diamondC_1x1x1_pp/qmc_spindens_short.in.xml +++ b/tests/solids/diamondC_1x1x1_pp/qmc_spindens_short.in.xml @@ -38,16 +38,15 @@ - - - - - - - - - - + + + + + + + + + diff --git a/tests/solids/diamondC_1x1x1_pp/qmc_spindens_short_gpu.in.xml b/tests/solids/diamondC_1x1x1_pp/qmc_spindens_short_gpu.in.xml index 31a6411793..224b5f78cd 100644 --- a/tests/solids/diamondC_1x1x1_pp/qmc_spindens_short_gpu.in.xml +++ b/tests/solids/diamondC_1x1x1_pp/qmc_spindens_short_gpu.in.xml @@ -38,16 +38,15 @@ - - - - - - - - - - + + + + + + + + + diff --git a/tests/solids/diamondC_1x1x1_pp/qmc_spindens_vmcbatch_short.in.xml b/tests/solids/diamondC_1x1x1_pp/qmc_spindens_vmcbatch_short.in.xml index 5b25ea9c15..95d6054c47 100644 --- a/tests/solids/diamondC_1x1x1_pp/qmc_spindens_vmcbatch_short.in.xml +++ b/tests/solids/diamondC_1x1x1_pp/qmc_spindens_vmcbatch_short.in.xml @@ -40,16 +40,15 @@ - - - - - - - - - - + + + + + + + + + diff --git a/tests/solids/diamondC_1x1x1_pp/qmc_trace_scalars.in.xml b/tests/solids/diamondC_1x1x1_pp/qmc_trace_scalars.in.xml index e6276fe555..f9d0057526 100644 --- a/tests/solids/diamondC_1x1x1_pp/qmc_trace_scalars.in.xml +++ b/tests/solids/diamondC_1x1x1_pp/qmc_trace_scalars.in.xml @@ -39,16 +39,15 @@ - - - - - - - - - - + + + + + + + + + diff --git a/tests/solids/diamondC_1x1x1_pp/qmc_trace_scalars_selective.in.xml b/tests/solids/diamondC_1x1x1_pp/qmc_trace_scalars_selective.in.xml index 6a1168b544..c6603ff183 100644 --- a/tests/solids/diamondC_1x1x1_pp/qmc_trace_scalars_selective.in.xml +++ b/tests/solids/diamondC_1x1x1_pp/qmc_trace_scalars_selective.in.xml @@ -39,16 +39,15 @@ - - - - - - - - - - + + + + + + + + + diff --git a/tests/solids/diamondC_2x1x1_pp/det_qmc_short.in.xml b/tests/solids/diamondC_2x1x1_pp/det_qmc_short.in.xml index c87dabf0ed..be6ae1c847 100644 --- a/tests/solids/diamondC_2x1x1_pp/det_qmc_short.in.xml +++ b/tests/solids/diamondC_2x1x1_pp/det_qmc_short.in.xml @@ -41,16 +41,15 @@ - - - - - - - - - - + + + + + + + + + diff --git a/tests/solids/diamondC_2x1x1_pp/det_qmc_short_delayedupdate.in.xml b/tests/solids/diamondC_2x1x1_pp/det_qmc_short_delayedupdate.in.xml index bbeefa5afa..553418c5a0 100644 --- a/tests/solids/diamondC_2x1x1_pp/det_qmc_short_delayedupdate.in.xml +++ b/tests/solids/diamondC_2x1x1_pp/det_qmc_short_delayedupdate.in.xml @@ -41,15 +41,14 @@ - - - - - - - - - + + + + + + + + diff --git a/tests/solids/diamondC_2x1x1_pp/det_qmc_short_excited.in.xml b/tests/solids/diamondC_2x1x1_pp/det_qmc_short_excited.in.xml index aa9755914c..1fa96a35dd 100644 --- a/tests/solids/diamondC_2x1x1_pp/det_qmc_short_excited.in.xml +++ b/tests/solids/diamondC_2x1x1_pp/det_qmc_short_excited.in.xml @@ -41,17 +41,19 @@ - - - - - -8 9 - - - - - - + + + + -8 9 + + + + + + + + + diff --git a/tests/solids/diamondC_2x1x1_pp/det_qmc_short_sdbatch_vmcbatch_dmcbatch_mwalkers.in.xml b/tests/solids/diamondC_2x1x1_pp/det_qmc_short_sdbatch_vmcbatch_dmcbatch_mwalkers.in.xml index 9a6727aa05..58fb191bde 100644 --- a/tests/solids/diamondC_2x1x1_pp/det_qmc_short_sdbatch_vmcbatch_dmcbatch_mwalkers.in.xml +++ b/tests/solids/diamondC_2x1x1_pp/det_qmc_short_sdbatch_vmcbatch_dmcbatch_mwalkers.in.xml @@ -42,16 +42,15 @@ - - - - - - - - - - + + + + + + + + + diff --git a/tests/solids/diamondC_2x1x1_pp/det_qmc_short_sdbatch_vmcbatch_dmcbatch_mwalkers_inverter_host.in.xml b/tests/solids/diamondC_2x1x1_pp/det_qmc_short_sdbatch_vmcbatch_dmcbatch_mwalkers_inverter_host.in.xml index 7b7178ca32..c4026ec96a 100644 --- a/tests/solids/diamondC_2x1x1_pp/det_qmc_short_sdbatch_vmcbatch_dmcbatch_mwalkers_inverter_host.in.xml +++ b/tests/solids/diamondC_2x1x1_pp/det_qmc_short_sdbatch_vmcbatch_dmcbatch_mwalkers_inverter_host.in.xml @@ -42,16 +42,15 @@ - - - - - - - - - - + + + + + + + + + diff --git a/tests/solids/diamondC_2x1x1_pp/det_qmc_short_sdbatch_vmcbatch_dmcbatch_mwalkers_with_checks.in.xml b/tests/solids/diamondC_2x1x1_pp/det_qmc_short_sdbatch_vmcbatch_dmcbatch_mwalkers_with_checks.in.xml index 6199d3784d..d882a22a5d 100644 --- a/tests/solids/diamondC_2x1x1_pp/det_qmc_short_sdbatch_vmcbatch_dmcbatch_mwalkers_with_checks.in.xml +++ b/tests/solids/diamondC_2x1x1_pp/det_qmc_short_sdbatch_vmcbatch_dmcbatch_mwalkers_with_checks.in.xml @@ -42,16 +42,15 @@ - - - - - - - - - - + + + + + + + + + diff --git a/tests/solids/diamondC_2x1x1_pp/det_qmc_short_sdbatch_vmcbatch_mwalkers.in.xml b/tests/solids/diamondC_2x1x1_pp/det_qmc_short_sdbatch_vmcbatch_mwalkers.in.xml index 4b76b179e7..d90e158d46 100644 --- a/tests/solids/diamondC_2x1x1_pp/det_qmc_short_sdbatch_vmcbatch_mwalkers.in.xml +++ b/tests/solids/diamondC_2x1x1_pp/det_qmc_short_sdbatch_vmcbatch_mwalkers.in.xml @@ -42,16 +42,15 @@ - - - - - - - - - - + + + + + + + + + diff --git a/tests/solids/diamondC_2x1x1_pp/det_qmc_short_vmc_dmc.in.xml b/tests/solids/diamondC_2x1x1_pp/det_qmc_short_vmc_dmc.in.xml index 47038e99d7..d76d050b0f 100644 --- a/tests/solids/diamondC_2x1x1_pp/det_qmc_short_vmc_dmc.in.xml +++ b/tests/solids/diamondC_2x1x1_pp/det_qmc_short_vmc_dmc.in.xml @@ -41,16 +41,15 @@ - - - - - - - - - - + + + + + + + + + diff --git a/tests/solids/diamondC_2x1x1_pp/det_qmc_short_vmc_dmc_excited.in.xml b/tests/solids/diamondC_2x1x1_pp/det_qmc_short_vmc_dmc_excited.in.xml index 2976088f5d..a46bb72f88 100644 --- a/tests/solids/diamondC_2x1x1_pp/det_qmc_short_vmc_dmc_excited.in.xml +++ b/tests/solids/diamondC_2x1x1_pp/det_qmc_short_vmc_dmc_excited.in.xml @@ -41,18 +41,20 @@ - - - - - -8 9 - - - - - - - + + + + -8 9 + + + + + + + + + + diff --git a/tests/solids/diamondC_2x1x1_pp/det_qmc_short_vmcbatch.in.xml b/tests/solids/diamondC_2x1x1_pp/det_qmc_short_vmcbatch.in.xml index ff018dff7e..12b72947b9 100644 --- a/tests/solids/diamondC_2x1x1_pp/det_qmc_short_vmcbatch.in.xml +++ b/tests/solids/diamondC_2x1x1_pp/det_qmc_short_vmcbatch.in.xml @@ -42,16 +42,15 @@ - - - - - - - - - - + + + + + + + + + diff --git a/tests/solids/diamondC_2x1x1_pp/det_qmc_short_vmcbatch_dmcbatch_excited.in.xml b/tests/solids/diamondC_2x1x1_pp/det_qmc_short_vmcbatch_dmcbatch_excited.in.xml index ab27450de1..8202ff79b2 100644 --- a/tests/solids/diamondC_2x1x1_pp/det_qmc_short_vmcbatch_dmcbatch_excited.in.xml +++ b/tests/solids/diamondC_2x1x1_pp/det_qmc_short_vmcbatch_dmcbatch_excited.in.xml @@ -42,18 +42,20 @@ - - - - - -8 9 - - - - - - - + + + + -8 9 + + + + + + + + + + diff --git a/tests/solids/diamondC_2x1x1_pp/det_qmc_short_vmcbatch_dmcbatch_mwalkers.in.xml b/tests/solids/diamondC_2x1x1_pp/det_qmc_short_vmcbatch_dmcbatch_mwalkers.in.xml index e874713b09..806a883a71 100644 --- a/tests/solids/diamondC_2x1x1_pp/det_qmc_short_vmcbatch_dmcbatch_mwalkers.in.xml +++ b/tests/solids/diamondC_2x1x1_pp/det_qmc_short_vmcbatch_dmcbatch_mwalkers.in.xml @@ -42,16 +42,15 @@ - - - - - - - - - - + + + + + + + + + diff --git a/tests/solids/diamondC_2x1x1_pp/det_qmc_short_vmcbatch_dmcbatch_mwalkers_inverter_host.in.xml b/tests/solids/diamondC_2x1x1_pp/det_qmc_short_vmcbatch_dmcbatch_mwalkers_inverter_host.in.xml index f4a2bbf3ae..0e43e72fde 100644 --- a/tests/solids/diamondC_2x1x1_pp/det_qmc_short_vmcbatch_dmcbatch_mwalkers_inverter_host.in.xml +++ b/tests/solids/diamondC_2x1x1_pp/det_qmc_short_vmcbatch_dmcbatch_mwalkers_inverter_host.in.xml @@ -42,16 +42,15 @@ - - - - - - - - - - + + + + + + + + + diff --git a/tests/solids/diamondC_2x1x1_pp/det_qmc_short_vmcbatch_dmcbatch_mwalkers_serialized.in.xml b/tests/solids/diamondC_2x1x1_pp/det_qmc_short_vmcbatch_dmcbatch_mwalkers_serialized.in.xml index 5a1ce6da16..78c2b72f8e 100644 --- a/tests/solids/diamondC_2x1x1_pp/det_qmc_short_vmcbatch_dmcbatch_mwalkers_serialized.in.xml +++ b/tests/solids/diamondC_2x1x1_pp/det_qmc_short_vmcbatch_dmcbatch_mwalkers_serialized.in.xml @@ -42,16 +42,15 @@ - - - - - - - - - - + + + + + + + + + diff --git a/tests/solids/diamondC_2x1x1_pp/det_qmc_short_vmcbatch_mwalkers.in.xml b/tests/solids/diamondC_2x1x1_pp/det_qmc_short_vmcbatch_mwalkers.in.xml index 69d1b1e1ec..0480e324a6 100644 --- a/tests/solids/diamondC_2x1x1_pp/det_qmc_short_vmcbatch_mwalkers.in.xml +++ b/tests/solids/diamondC_2x1x1_pp/det_qmc_short_vmcbatch_mwalkers.in.xml @@ -42,16 +42,15 @@ - - - - - - - - - - + + + + + + + + + diff --git a/tests/solids/diamondC_2x1x1_pp/det_qmc_vmc_dmc_pw.in.xml b/tests/solids/diamondC_2x1x1_pp/det_qmc_vmc_dmc_pw.in.xml index 805de6fc6e..560f095094 100644 --- a/tests/solids/diamondC_2x1x1_pp/det_qmc_vmc_dmc_pw.in.xml +++ b/tests/solids/diamondC_2x1x1_pp/det_qmc_vmc_dmc_pw.in.xml @@ -50,7 +50,7 @@ - + diff --git a/tests/solids/diamondC_2x1x1_pp/qmc_long.in.xml b/tests/solids/diamondC_2x1x1_pp/qmc_long.in.xml index 3124f7bedf..be039ab60c 100644 --- a/tests/solids/diamondC_2x1x1_pp/qmc_long.in.xml +++ b/tests/solids/diamondC_2x1x1_pp/qmc_long.in.xml @@ -40,16 +40,15 @@ - - - - - - - - - - + + + + + + + + + diff --git a/tests/solids/diamondC_2x1x1_pp/qmc_long_excited.in.xml b/tests/solids/diamondC_2x1x1_pp/qmc_long_excited.in.xml index 2caab69268..b4f9d7ae7d 100644 --- a/tests/solids/diamondC_2x1x1_pp/qmc_long_excited.in.xml +++ b/tests/solids/diamondC_2x1x1_pp/qmc_long_excited.in.xml @@ -40,18 +40,20 @@ - - - - - -8 9 - - - - - - - + + + + -8 9 + + + + + + + + + + diff --git a/tests/solids/diamondC_2x1x1_pp/qmc_long_vmc_dmc.in.xml b/tests/solids/diamondC_2x1x1_pp/qmc_long_vmc_dmc.in.xml index 2b58ab3fc0..23ead24418 100644 --- a/tests/solids/diamondC_2x1x1_pp/qmc_long_vmc_dmc.in.xml +++ b/tests/solids/diamondC_2x1x1_pp/qmc_long_vmc_dmc.in.xml @@ -40,16 +40,15 @@ - - - - - - - - - - + + + + + + + + + diff --git a/tests/solids/diamondC_2x1x1_pp/qmc_long_vmc_dmc_dla.in.xml b/tests/solids/diamondC_2x1x1_pp/qmc_long_vmc_dmc_dla.in.xml index d5e942ae68..927f5875d7 100644 --- a/tests/solids/diamondC_2x1x1_pp/qmc_long_vmc_dmc_dla.in.xml +++ b/tests/solids/diamondC_2x1x1_pp/qmc_long_vmc_dmc_dla.in.xml @@ -40,16 +40,15 @@ - - - - - - - - - - + + + + + + + + + diff --git a/tests/solids/diamondC_2x1x1_pp/qmc_long_vmc_dmc_excited.in.xml b/tests/solids/diamondC_2x1x1_pp/qmc_long_vmc_dmc_excited.in.xml index e73026eb3d..2da01cc72a 100644 --- a/tests/solids/diamondC_2x1x1_pp/qmc_long_vmc_dmc_excited.in.xml +++ b/tests/solids/diamondC_2x1x1_pp/qmc_long_vmc_dmc_excited.in.xml @@ -40,18 +40,20 @@ - - - - - -8 9 - - - - - - - + + + + -8 9 + + + + + + + + + + diff --git a/tests/solids/diamondC_2x1x1_pp/qmc_long_vmc_dmc_reconf.in.xml b/tests/solids/diamondC_2x1x1_pp/qmc_long_vmc_dmc_reconf.in.xml index ca184eb5d6..1bcf8f3921 100644 --- a/tests/solids/diamondC_2x1x1_pp/qmc_long_vmc_dmc_reconf.in.xml +++ b/tests/solids/diamondC_2x1x1_pp/qmc_long_vmc_dmc_reconf.in.xml @@ -40,16 +40,15 @@ - - - - - - - - - - + + + + + + + + + diff --git a/tests/solids/diamondC_2x1x1_pp/qmc_short.in.xml b/tests/solids/diamondC_2x1x1_pp/qmc_short.in.xml index 4c63ac1f31..3c4437accc 100644 --- a/tests/solids/diamondC_2x1x1_pp/qmc_short.in.xml +++ b/tests/solids/diamondC_2x1x1_pp/qmc_short.in.xml @@ -40,16 +40,15 @@ - - - - - - - - - - + + + + + + + + + diff --git a/tests/solids/diamondC_2x1x1_pp/qmc_short_delayedupdate.in.xml b/tests/solids/diamondC_2x1x1_pp/qmc_short_delayedupdate.in.xml index 5ebffd28f9..15ecf617eb 100644 --- a/tests/solids/diamondC_2x1x1_pp/qmc_short_delayedupdate.in.xml +++ b/tests/solids/diamondC_2x1x1_pp/qmc_short_delayedupdate.in.xml @@ -40,16 +40,15 @@ - - - - - - - - - - + + + + + + + + + diff --git a/tests/solids/diamondC_2x1x1_pp/qmc_short_excited.in.xml b/tests/solids/diamondC_2x1x1_pp/qmc_short_excited.in.xml index 21f1b7b71f..8e16971ce2 100644 --- a/tests/solids/diamondC_2x1x1_pp/qmc_short_excited.in.xml +++ b/tests/solids/diamondC_2x1x1_pp/qmc_short_excited.in.xml @@ -38,20 +38,22 @@ 5.05974172 5.05974172 1.68658058 - + - - - - - -8 9 - - - - - - - + + + + -8 9 + + + + + + + + + + diff --git a/tests/solids/diamondC_2x1x1_pp/qmc_short_hybridrep.in.xml b/tests/solids/diamondC_2x1x1_pp/qmc_short_hybridrep.in.xml index cdb43252f1..f35a30933d 100644 --- a/tests/solids/diamondC_2x1x1_pp/qmc_short_hybridrep.in.xml +++ b/tests/solids/diamondC_2x1x1_pp/qmc_short_hybridrep.in.xml @@ -43,16 +43,15 @@ - - - - - - - - - - + + + + + + + + + diff --git a/tests/solids/diamondC_2x1x1_pp/qmc_short_sdbatch_vmcbatch_4b.in.xml b/tests/solids/diamondC_2x1x1_pp/qmc_short_sdbatch_vmcbatch_4b.in.xml index 29157a6953..df4ba76669 100644 --- a/tests/solids/diamondC_2x1x1_pp/qmc_short_sdbatch_vmcbatch_4b.in.xml +++ b/tests/solids/diamondC_2x1x1_pp/qmc_short_sdbatch_vmcbatch_4b.in.xml @@ -41,16 +41,15 @@ - - - - - - - - - - + + + + + + + + + diff --git a/tests/solids/diamondC_2x1x1_pp/qmc_short_sdbatch_vmcbatch_dmcbatch.in.xml b/tests/solids/diamondC_2x1x1_pp/qmc_short_sdbatch_vmcbatch_dmcbatch.in.xml index 9638f1c626..d861676953 100644 --- a/tests/solids/diamondC_2x1x1_pp/qmc_short_sdbatch_vmcbatch_dmcbatch.in.xml +++ b/tests/solids/diamondC_2x1x1_pp/qmc_short_sdbatch_vmcbatch_dmcbatch.in.xml @@ -41,15 +41,14 @@ - - - - - - - - - + + + + + + + + diff --git a/tests/solids/diamondC_2x1x1_pp/qmc_short_vmc_dmc.in.xml b/tests/solids/diamondC_2x1x1_pp/qmc_short_vmc_dmc.in.xml index 9a10016923..cdae557b36 100644 --- a/tests/solids/diamondC_2x1x1_pp/qmc_short_vmc_dmc.in.xml +++ b/tests/solids/diamondC_2x1x1_pp/qmc_short_vmc_dmc.in.xml @@ -38,18 +38,17 @@ 5.05974172 5.05974172 1.68658058 - - - - - - - - - - - - + + + + + + + + + + + diff --git a/tests/solids/diamondC_2x1x1_pp/qmc_short_vmc_dmc_4r.in.xml b/tests/solids/diamondC_2x1x1_pp/qmc_short_vmc_dmc_4r.in.xml index 5478cd59a6..2057c67a05 100644 --- a/tests/solids/diamondC_2x1x1_pp/qmc_short_vmc_dmc_4r.in.xml +++ b/tests/solids/diamondC_2x1x1_pp/qmc_short_vmc_dmc_4r.in.xml @@ -40,16 +40,15 @@ - - - - - - - - - - + + + + + + + + + diff --git a/tests/solids/diamondC_2x1x1_pp/qmc_short_vmc_dmc_dla.in.xml b/tests/solids/diamondC_2x1x1_pp/qmc_short_vmc_dmc_dla.in.xml index 175d070502..cc5c105c31 100644 --- a/tests/solids/diamondC_2x1x1_pp/qmc_short_vmc_dmc_dla.in.xml +++ b/tests/solids/diamondC_2x1x1_pp/qmc_short_vmc_dmc_dla.in.xml @@ -40,16 +40,15 @@ - - - - - - - - - - + + + + + + + + + diff --git a/tests/solids/diamondC_2x1x1_pp/qmc_short_vmc_dmc_excited.in.xml b/tests/solids/diamondC_2x1x1_pp/qmc_short_vmc_dmc_excited.in.xml index f3fef5f414..2ef8142d02 100644 --- a/tests/solids/diamondC_2x1x1_pp/qmc_short_vmc_dmc_excited.in.xml +++ b/tests/solids/diamondC_2x1x1_pp/qmc_short_vmc_dmc_excited.in.xml @@ -40,17 +40,19 @@ - - - - - -8 9 - - - - - - + + + + -8 9 + + + + + + + + + diff --git a/tests/solids/diamondC_2x1x1_pp/qmc_short_vmc_dmc_reconf.in.xml b/tests/solids/diamondC_2x1x1_pp/qmc_short_vmc_dmc_reconf.in.xml index 0d02ad93dc..3cc5bed9df 100644 --- a/tests/solids/diamondC_2x1x1_pp/qmc_short_vmc_dmc_reconf.in.xml +++ b/tests/solids/diamondC_2x1x1_pp/qmc_short_vmc_dmc_reconf.in.xml @@ -40,16 +40,15 @@ - - - - - - - - - - + + + + + + + + + diff --git a/tests/solids/diamondC_2x1x1_pp/qmc_short_vmcbatch.in.xml b/tests/solids/diamondC_2x1x1_pp/qmc_short_vmcbatch.in.xml index f1b51992de..987658cfcf 100644 --- a/tests/solids/diamondC_2x1x1_pp/qmc_short_vmcbatch.in.xml +++ b/tests/solids/diamondC_2x1x1_pp/qmc_short_vmcbatch.in.xml @@ -41,16 +41,15 @@ - - - - - - - - - - + + + + + + + + + diff --git a/tests/solids/diamondC_2x1x1_pp/qmc_short_vmcbatch_4b.in.xml b/tests/solids/diamondC_2x1x1_pp/qmc_short_vmcbatch_4b.in.xml index 4673414947..e5dd7458b0 100644 --- a/tests/solids/diamondC_2x1x1_pp/qmc_short_vmcbatch_4b.in.xml +++ b/tests/solids/diamondC_2x1x1_pp/qmc_short_vmcbatch_4b.in.xml @@ -41,15 +41,14 @@ - - - - - - - - - + + + + + + + + diff --git a/tests/solids/diamondC_2x1x1_pp/qmc_short_vmcbatch_4b_asynctwf.in.xml b/tests/solids/diamondC_2x1x1_pp/qmc_short_vmcbatch_4b_asynctwf.in.xml index 921a9f631d..69f93589e3 100644 --- a/tests/solids/diamondC_2x1x1_pp/qmc_short_vmcbatch_4b_asynctwf.in.xml +++ b/tests/solids/diamondC_2x1x1_pp/qmc_short_vmcbatch_4b_asynctwf.in.xml @@ -41,16 +41,15 @@ - - - - - - - - - - + + + + + + + + + diff --git a/tests/solids/diamondC_2x1x1_pp/qmc_short_vmcbatch_dmcbatch.in.xml b/tests/solids/diamondC_2x1x1_pp/qmc_short_vmcbatch_dmcbatch.in.xml index f506b70a05..b82f7a94d0 100644 --- a/tests/solids/diamondC_2x1x1_pp/qmc_short_vmcbatch_dmcbatch.in.xml +++ b/tests/solids/diamondC_2x1x1_pp/qmc_short_vmcbatch_dmcbatch.in.xml @@ -41,16 +41,15 @@ - - - - - - - - - - + + + + + + + + + diff --git a/tests/solids/diamondC_2x1x1_pp/qmc_short_vmcbatch_dmcbatch_4r.in.xml b/tests/solids/diamondC_2x1x1_pp/qmc_short_vmcbatch_dmcbatch_4r.in.xml index 6e4a268aa8..37be1d0b00 100644 --- a/tests/solids/diamondC_2x1x1_pp/qmc_short_vmcbatch_dmcbatch_4r.in.xml +++ b/tests/solids/diamondC_2x1x1_pp/qmc_short_vmcbatch_dmcbatch_4r.in.xml @@ -41,16 +41,15 @@ - - - - - - - - - - + + + + + + + + + diff --git a/tests/solids/grapheneC_1x1_pp/det_qmc_short_z10.in.xml b/tests/solids/grapheneC_1x1_pp/det_qmc_short_z10.in.xml index 4b47934bc0..cb99bf6842 100644 --- a/tests/solids/grapheneC_1x1_pp/det_qmc_short_z10.in.xml +++ b/tests/solids/grapheneC_1x1_pp/det_qmc_short_z10.in.xml @@ -42,17 +42,13 @@ - - + + + + - - - - - - - - + + diff --git a/tests/solids/grapheneC_1x1_pp/det_qmc_short_z30.in.xml b/tests/solids/grapheneC_1x1_pp/det_qmc_short_z30.in.xml index 1aad32ab3a..f41b38b833 100644 --- a/tests/solids/grapheneC_1x1_pp/det_qmc_short_z30.in.xml +++ b/tests/solids/grapheneC_1x1_pp/det_qmc_short_z30.in.xml @@ -42,17 +42,13 @@ - - + + + + - - - - - - - - + + diff --git a/tests/solids/hcpBe_1x1x1_pp/qmc_long.in.xml b/tests/solids/hcpBe_1x1x1_pp/qmc_long.in.xml index 025253eabf..b6b8637c0b 100644 --- a/tests/solids/hcpBe_1x1x1_pp/qmc_long.in.xml +++ b/tests/solids/hcpBe_1x1x1_pp/qmc_long.in.xml @@ -37,16 +37,15 @@ - + + + + - - - - - - + + - + diff --git a/tests/solids/hcpBe_1x1x1_pp/qmc_short.in.xml b/tests/solids/hcpBe_1x1x1_pp/qmc_short.in.xml index a4cd430d99..d8025b6341 100644 --- a/tests/solids/hcpBe_1x1x1_pp/qmc_short.in.xml +++ b/tests/solids/hcpBe_1x1x1_pp/qmc_short.in.xml @@ -37,14 +37,13 @@ - - - - - - - - + + + + + + + diff --git a/tests/solids/monoO_1x1x1_pp/qmc_j3_long.in.xml b/tests/solids/monoO_1x1x1_pp/qmc_j3_long.in.xml index 2f5b149118..cd899489c1 100644 --- a/tests/solids/monoO_1x1x1_pp/qmc_j3_long.in.xml +++ b/tests/solids/monoO_1x1x1_pp/qmc_j3_long.in.xml @@ -38,14 +38,13 @@ - - - - - - - - + + + + + + + diff --git a/tests/solids/monoO_1x1x1_pp/qmc_j3_short.in.xml b/tests/solids/monoO_1x1x1_pp/qmc_j3_short.in.xml index 9410102f88..d75624fdcd 100644 --- a/tests/solids/monoO_1x1x1_pp/qmc_j3_short.in.xml +++ b/tests/solids/monoO_1x1x1_pp/qmc_j3_short.in.xml @@ -38,16 +38,15 @@ - + + + + - - - - - - + + - + -0.8696890534 -0.7933441198 -0.7025438674 -0.5453877801 -0.3403047754 -0.2291021778 -0.1249523107 -0.05787395961 diff --git a/tests/solids/monoO_1x1x1_pp/qmc_long.in.xml b/tests/solids/monoO_1x1x1_pp/qmc_long.in.xml index fac002bdb0..548fea9183 100644 --- a/tests/solids/monoO_1x1x1_pp/qmc_long.in.xml +++ b/tests/solids/monoO_1x1x1_pp/qmc_long.in.xml @@ -38,16 +38,15 @@ - + + + + - - - - - - + + - + diff --git a/tests/solids/monoO_1x1x1_pp/qmc_short.in.xml b/tests/solids/monoO_1x1x1_pp/qmc_short.in.xml index 106574cd18..16020c1298 100644 --- a/tests/solids/monoO_1x1x1_pp/qmc_short.in.xml +++ b/tests/solids/monoO_1x1x1_pp/qmc_short.in.xml @@ -38,16 +38,15 @@ - + + + + - - - - - - + + - + diff --git a/tests/solids/monoO_noncollinear_1x1x1_pp/qmc_short.in.xml b/tests/solids/monoO_noncollinear_1x1x1_pp/qmc_short.in.xml index af492bb480..14cc71c04b 100644 --- a/tests/solids/monoO_noncollinear_1x1x1_pp/qmc_short.in.xml +++ b/tests/solids/monoO_noncollinear_1x1x1_pp/qmc_short.in.xml @@ -63,14 +63,14 @@ - + - + - +