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Adjust tolerance of SE/regtest-2-1/hcl_ot.inp

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Ole Schütt 2025-07-19 16:44:37 +02:00 • committed by Ole Schütt
parent 18ccc3ce49
commit a9db95da33
1 changed files with 1 additions and 1 deletions
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tests/SE/regtest-2-1/TEST_FILES.toml
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@ -34,6 +34,6 @@
# d-orbitals analytical der
"O2-ROKS-PM6.inp" = [{matcher="M003", tol=1.0E-14, ref=-580.14588779285589}]
"hcl.inp" = [{matcher="M003", tol=1.0E-14, ref=-279.22122951626676}]
"hcl_ot.inp" = [{matcher="M003", tol=1.0E-11, ref=-279.22456476215723}]
"hcl_ot.inp" = [{matcher="M003", tol=2.0E-11, ref=-279.22456476215723}]
"hcl_z.inp" = [{matcher="M003", tol=1.0E-14, ref=-279.21403016786405}]
#EOF