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Adjusted tolerance and gold value

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Hans Pabst 2025-10-16 09:39:44 +02:00
parent 5fbb6783ca
commit d2523b8a1f
1 changed files with 1 additions and 1 deletions
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2
tests/QS/regtest-tddfpt-bse/TEST_FILES.toml
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@ -3,5 +3,5 @@
# e.g. 0 means do not compare anything, running is enough
# 1 compares the last total energy in the file
# for details see cp2k/tools/do_regtest
"H2O.inp" = [{matcher="M037", tol=1.0E-05, ref=2.1463}]
"H2O.inp" = [{matcher="M037", tol=2.0E-05, ref=2.14634}]
#EOF