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Adjust tolerance of HF_gapw_all_LB.inp and H2O-hfx-periodic-ri-truncated.inp

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Ole Schuett 2021-11-20 11:13:33 +01:00 • committed by Ole Schütt
parent d4528354f0
commit fa5ede6011
2 changed files with 2 additions and 2 deletions
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2
tests/QS/regtest-gapw/TEST_FILES
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@ -13,7 +13,7 @@ H2O-gapwxc-gth.inp 1 2e-13
# test with presence of soft S
H2S-gapw.inp 1 3e-13 -11.26886317831731
# tests GAPW 6-311++G(3df,3pd)
HF_gapw_all_LB.inp 1 1e-12 -98.788147813994456
HF_gapw_all_LB.inp 1 2e-12 -98.788147813994456
# tests GAPW 6-311++G(3df,3pd) and LSD
OF_gapw_all_lsd_LB.inp 1 2e-10 -174.10093735008826
# keep special case alive

2
tests/QS/regtest-hfx-ri/TEST_FILES
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@ -1,6 +1,6 @@
H2O-hfx-coulomb.inp 1 5.0E-12 -75.96344485612131
H2O-hfx-identity.inp 1 1.0E-10 -76.00818468795198
H2O-hfx-periodic-ri-truncated.inp 1 5.0E-12 -66.82684206238447
H2O-hfx-periodic-ri-truncated.inp 1 1.0E-11 -66.82684206238447
H2O-hybrid-b3lyp.inp 1 1.0E-12 -76.15902937273455
CH-hfx-ri-mo.inp 1 1.0E-12 -37.92293656310858
CH-hfx-ri-rho.inp 1 2.0E-10 -38.26515058472813