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11 lines
871 B
TOML
11 lines
871 B
TOML
# runs are executed in the same order as in this file
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# the second field tells which test should be run in order to compare with the last available output
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# see regtest/TEST_FILES
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"H2O-64_NNP_MD.inp" = [{matcher="M002", tol=1.0E-14, ref=0.375124218267E+04}]
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"H2O_C-NNP_MD.inp" = [{matcher="M002", tol=1.0E-14, ref=0.586488095231E+02}]
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"H2O-64_C-NNP_MD.inp" = [{matcher="M002", tol=1.0E-14, ref=0.375124235844E+04}]
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"H2O-64_C-NNP_MD-NpT.inp" = [{matcher="M002", tol=1.0E-14, ref=0.375126784023E+04}]
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"H2O-64_C-NNP_MD-NpT-numeric.inp" = [{matcher="M002", tol=1.0E-14, ref=0.375124841615E+04}]
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"H2O-64_C-NNP_biased_MD.inp" = [{matcher="M002", tol=1.0E-14, ref=0.375124232248E+04}]
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"H2O-64_C-NNP_biased_MD_restart.inp" = [{matcher="M002", tol=1.0E-14, ref=0.375124124406E+04}]
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#EOF
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