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13 lines
987 B
TOML
13 lines
987 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/tools/do_regtest
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"h2o_dipole.inp" = [{matcher="M086", tol=1e-05, ref=0.908927636669E+00}]
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"h2o_polar.inp" = [{matcher="M087", tol=1e-05, ref=0.166347691437E+02}]
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"h2o_pdip.inp" = [{matcher="M086", tol=1e-05, ref=0.961018561809E+00}]
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"h2o_periodic.inp" = [{matcher="M087", tol=1e-05, ref=0.139741440657E+02}]
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"h2o_gga.inp" = [{matcher="M087", tol=1e-05, ref=0.165143521103E+02}]
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"h2o_gapw.inp" = [{matcher="M087", tol=1e-05, ref=0.170608453409E+02}]
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"h2o_gapw_xc.inp" = [{matcher="M087", tol=1e-05, ref=0.170656058892E+02}]
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#EOF
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