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10 lines
No EOL
676 B
TOML
10 lines
No EOL
676 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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# for details see cp2k/tests/do_regtest
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"hp-dft_0eV.inp" = [{matcher="M011", tol=5.0E-2, ref=-236.439459678130504},
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{matcher="M126", tol=1.0E-6, ref=0.0}]
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"hp-dft_1eV.inp" = [{matcher="M011", tol=5.0E-2, ref=-238.228758936954392},
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{matcher="M126", tol=1.0E-6, ref=0.0}]
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#EOF |