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Adjusted tolerance

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- Ubuntu, GCC 13 (ssmp).
This commit is contained in:
Hans Pabst 2025-10-17 08:40:19 +02:00
parent c09f6e5e3b
commit bfa518009f
1 changed files with 1 additions and 1 deletions
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2
tests/SE/regtest-2-2/TEST_FILES.toml
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@ -5,7 +5,7 @@
# for details see cp2k/tools/do_regtest
# d-orbitals analytical der continued from regtest-2-1
"Pt-cis-2xpet3Cl2.inp" = [{matcher="M003", tol=8e-14, ref=-3116.62376488246764}]
"ZrF2-PM6.inp" = [{matcher="M003", tol=4e-12, ref=-985.9930664264728}]
"ZrF2-PM6.inp" = [{matcher="M003", tol=5e-12, ref=-985.9930664264728}]
"Hg_cat.inp" = [{matcher="M003", tol=1.0E-14, ref=-17.60873200000000}]
"Hg_dicat.inp" = [{matcher="M029", tol=1.0E-14, ref=679.86329923655944}]
"Hg_dicat2.inp" = [{matcher="M029", tol=1.0E-14, ref=679.86329923655944}]