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Adjust tolerances of H2O-meta-combine.inp, CH_grad_admm_none.inp, and…
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… N2_t14.inp
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oschuett committed Apr 1, 2022
1 parent aa9c8d9 commit ace8820
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Showing 3 changed files with 3 additions and 3 deletions.
2 changes: 1 addition & 1 deletion tests/Fist/regtest-4/TEST_FILES
Original file line number Diff line number Diff line change
Expand Up @@ -69,6 +69,6 @@ nh3-meta-walks_2.inp 2 1.0E-14
nh3-meta-walks_1r.inp 2 4e-12 0.0095586840152099995
nh3-meta-walks_2r.inp 2 7e-10 0.014663352649999999
#Combine_colvar
H2O-meta-combine.inp 2 3e-02 0.00104137484729
H2O-meta-combine.inp 2 3.5e-02 0.00104137484729
lewis.inp 11 7e-10 -25.423499443424980
#EOF
2 changes: 1 addition & 1 deletion tests/QS/regtest-ec-force/TEST_FILES
Original file line number Diff line number Diff line change
Expand Up @@ -15,5 +15,5 @@ N2_t10.inp 1 1e-12
N2_t11.inp 1 1e-12 -19.87201569403329
N2_t12.inp 1 1e-12 -19.87215956274964
N2_t13.inp 1 1e-12 -19.87400375270014
N2_t14.inp 1 1e-12 -19.87377227302795
N2_t14.inp 1 5e-10 -19.87377227302795
#EOF
2 changes: 1 addition & 1 deletion tests/QS/regtest-mp2-admm-grad/TEST_FILES
Original file line number Diff line number Diff line change
@@ -1,5 +1,5 @@
H2O_grad_admm_none.inp 11 3e-08 -16.859418653319167
CH_grad_admm_none.inp 11 7e-08 -5.846828570293429
CH_grad_admm_none.inp 11 9e-08 -5.846828570293429
H2O_grad_admm.inp 11 3e-08 -16.879784977560586
CH_grad_admm.inp 11 7e-08 -5.847426908150737
#EOF

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