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NWChem/QA/tests/prep
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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
..
a3n.nw Update a3n test 2002-02-07 16:43:35 +00:00
a3n.out HvD: Carried MD fixes from the nwchem-6.0 branch over to the development 2010-08-30 18:24:36 +00:00
a3n.pdb Update 1999-01-19 16:04:50 +00:00
a3n.tst HvD: Carried MD fixes from the nwchem-6.0 branch over to the development 2010-08-30 18:24:36 +00:00
aal.nw added echo to all qa input decks 1999-07-15 01:02:51 +00:00
aal.out HvD: The first tranche of updates in relation to the NWChem-6.0 release. 2010-10-26 21:27:33 +00:00
aal.pdb Update 1999-01-19 16:04:50 +00:00
aal.tst HvD: The first tranche of updates in relation to the NWChem-6.0 release. 2010-10-26 21:27:33 +00:00
amber.par HvD: The first tranche of updates in relation to the NWChem-6.0 release. 2010-10-26 21:27:33 +00:00
bpx.nw HvD: The first tranche of updates in relation to the NWChem-6.0 release. 2010-10-26 21:27:33 +00:00
bpx.out HvD: The first tranche of updates in relation to the NWChem-6.0 release. 2010-10-26 21:27:33 +00:00
bpx.pdb bpx test case 2000-06-02 03:22:10 +00:00
bpx.tst HvD: Carried MD fixes from the nwchem-6.0 branch over to the development 2010-08-30 18:24:36 +00:00
caa.nw added echo to all qa input decks 1999-07-15 01:02:51 +00:00
caa.out HvD: The first tranche of updates in relation to the NWChem-6.0 release. 2010-10-26 21:27:33 +00:00
caa.pdb Update 1999-01-19 16:04:50 +00:00
caa.tst HvD: Carried MD fixes from the nwchem-6.0 branch over to the development 2010-08-30 18:24:36 +00:00
fsc.nw added echo to all qa input decks 1999-07-15 01:02:51 +00:00
fsc.out HvD: The first tranche of updates in relation to the NWChem-6.0 release. 2010-10-26 21:27:33 +00:00
fsc.pdb Update 1999-01-19 16:04:50 +00:00
fsc.tst HvD: Carried MD fixes from the nwchem-6.0 branch over to the development 2010-08-30 18:24:36 +00:00