comp-chem/NWChem
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NWChem/examples
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Tjerk Straatsma d354e90d8f Minor fix in bnz.frg
2004-12-08 23:26:50 +00:00
..
dirdyvtst Tests from DRDY converted to NWChem format for OH + H2 -> OH2 + H. 2001-05-01 22:49:29 +00:00
md Minor fix in bnz.frg 2004-12-08 23:26:50 +00:00
pspw session 1 examples from ORNL workshop added....EJB 2004-05-06 19:49:11 +00:00
qmd Added comments to 3carbo.nw, added a DFT version 2002-02-15 23:29:12 +00:00
rimp2 Change in title format. 2000-01-19 17:20:05 +00:00