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9 lines
471 B
TOML
9 lines
471 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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# e.g. 0 means do not compare anything, running is enough
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# 1 compares the last total energy in the file
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# 6 looks for the final energy of the MC simulation
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# for details see cp2k/tools/do_regtest
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#
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"dimer.inp" = [{matcher="M011", tol=1e-04, ref=-31.336010787896299}]
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#EOF
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