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Adjust tolerances of QS/regtest-tddfpt-admm
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1 changed files with 4 additions and 4 deletions
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@ -4,8 +4,8 @@
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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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#
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h2o_a01.inp 1 5.0E-11 -17.24005864917290
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h2o_a02.inp 1 5.0E-11 -17.13768744679261
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h2o_a03.inp 1 5.0E-11 -17.20804254307528
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h2o_a04.inp 1 5.0E-11 -17.04272708960406
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h2o_a01.inp 1 6.0E-11 -17.24005864917290
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h2o_a02.inp 1 6.0E-11 -17.13768744679261
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h2o_a03.inp 1 6.0E-11 -17.20804254307528
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h2o_a04.inp 1 6.0E-11 -17.04272708960406
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#EOF
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