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bc3807aa4b
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Fix sign of forces in AO mode, update h2o examples
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2020-01-31 00:42:00 -06:00 |
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b9d68f93af
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remove debug statement
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2019-10-03 17:04:40 -06:00 |
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5c92e5aa01
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added W minimization example
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2019-10-03 17:02:04 -06:00 |
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319df973d9
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Fix typo in cmd line
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2019-10-02 11:27:21 -05:00 |
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80168d0d5a
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Automatically append input file to nwchemcmd
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2019-10-02 11:11:50 -05:00 |
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214850088b
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add NWChem wrapper to client/server mode for AIMD
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2019-09-27 15:28:48 -06:00 |
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