Adjust 4 thresholds due to new collocate implementation

cp2k · Jul 6, 2020 · 4b0212a · 4b0212a
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commit 4b0212a
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Showing 4 changed files with 4 additions and 4 deletions.
diff --git a/tests/QMMM/QS/regtest-2-swave/TEST_FILES b/tests/QMMM/QS/regtest-2-swave/TEST_FILES
@@ -10,7 +10,7 @@ H2O-qmmm-gauss-14-geep-4.inp                           1      2e-12
 H2O-qmmm-gauss-14-geep-5.inp                           1      2e-13             -12.94682754743678
 H2O-qmmm-gauss-14-geep-6.inp                           1      1e-12             -12.92452860733718
 H2O-qmmm-gauss-14-geep-7.inp                           1      1e-12             -12.92123918724425
-H2O-qmmm-gauss-14-geep-8.inp                           1      1e-12             -12.91960951301941
+H2O-qmmm-gauss-14-geep-8.inp                           1      2e-12             -12.91960951301941
 H2O-qmmm-gauss-14-geep-9.inp                           1      2e-12             -12.91867786991166
 H2O-qmmm-gauss-14-geep-10.inp                          1      1e-12             -12.91834967974590
 H2O-qmmm-gauss-14-geep-11.inp                          1      1e-12             -12.91820135888607

diff --git a/tests/QS/regtest-gpw-2-3/TEST_FILES b/tests/QS/regtest-gpw-2-3/TEST_FILES
@@ -7,7 +7,7 @@ hcn_ts_fix_x.inp                                      63      1e-14
 hcn_ts_fix_y.inp                                      64      1e-14                  -0.0003000000
 hcn_ts_fix_z.inp                                      65      1e-14                   0.0000000000
 # chain of two coordination numbers
-hcn_md.inp                                             1      2e-14             -16.50121471895406
+hcn_md.inp                                             1      3e-14             -16.50121471895406
 hcn_meta_coord.inp                                     1      4e-14             -16.65113632013810
 hcn_meta_chaincoord.inp                                1      7e-14             -16.64019903493714
 hcn_meta_chaincoord_kind.inp                           1      1e-13             -16.64019903493714

diff --git a/tests/QS/regtest-gpw-4/TEST_FILES b/tests/QS/regtest-gpw-4/TEST_FILES
@@ -69,7 +69,7 @@ H-extpot.inp                                          11      1e-12
 H2O-analytic_vee.inp                                  11      3e-12            -17.165089831918642
 H2O-read_cube.inp                                     11      3e-12            -17.165069594404645
 # welltempered metadynamics
-2H2O_meta_welltemp.inp                                 1      4e-14             -34.16302155139748
+2H2O_meta_welltemp.inp                                 1      5e-14             -34.16302155139748
 ND3_meta_welltemp.inp                                  1      2e-14             -11.80921591725154
 # gapw + npt
 H2O-gapw.inp                                           1      3e-14            -17.138804316237351

diff --git a/tests/QS/regtest-hfx-ri/TEST_FILES b/tests/QS/regtest-hfx-ri/TEST_FILES
@@ -3,7 +3,7 @@ H2O-hfx-identity.inp                                         1    1.0E-10
 H2O-hfx-periodic-ri-truncated.inp                            1    5.0E-12             -66.83226303451153
 H2O-hybrid-b3lyp.inp                                         1    1.0E-12             -76.15358900494054
 CH-hfx-ri-mo.inp                                             1    1.0E-12             -37.91967383839648
-CH-hfx-ri-rho.inp                                            1    1.0E-10             -38.26006228355294
+CH-hfx-ri-rho.inp                                            1    2.0E-10             -38.26006228355294
 CH3-ADMM.inp                                                 1    1.0E-12              -7.36918928538798
 CH3-hfx-converged.inp                                        1    1.0E-11              -7.21317273069083
 Ne-hybrid-periodic-shortrange.inp                            1    1.0E-12            -772.82989949221326