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NWChem/QA/tests/ethanol
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Huub Van Dam 7d290b98cb HvD: The first tranche of updates in relation to the NWChem-6.0 release. 
All input files now have the "echo" directive. Also where necessary the
baselines have been updated upto and including br2_dk.out. There is
more to follow...
2010-10-26 21:27:33 +00:00
..
ethanol.pdb Updated QA test 2004-12-17 16:13:54 +00:00
ethanol.top HvD: The first tranche of updates in relation to the NWChem-6.0 release. 2010-10-26 21:27:33 +00:00
ethanol_md.nw HvD: The first tranche of updates in relation to the NWChem-6.0 release. 2010-10-26 21:27:33 +00:00
ethanol_md.out HvD: The first tranche of updates in relation to the NWChem-6.0 release. 2010-10-26 21:27:33 +00:00
ethanol_md.rst Test cases. runtest.md still fails in had_em 2004-04-08 22:13:14 +00:00
ethanol_md.tst HvD: The first tranche of updates in relation to the NWChem-6.0 release. 2010-10-26 21:27:33 +00:00
ethanol_ti.nw HvD: The first tranche of updates in relation to the NWChem-6.0 release. 2010-10-26 21:27:33 +00:00
ethanol_ti.out HvD: Carried MD fixes from the nwchem-6.0 branch over to the development 2010-08-30 18:24:36 +00:00
ethanol_ti.rst Test cases. runtest.md still fails in had_em 2004-04-08 22:13:14 +00:00
ethanol_ti.tst HvD: The first tranche of updates in relation to the NWChem-6.0 release. 2010-10-26 21:27:33 +00:00