2018-02-06 16:30:49 -08:00
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NWChem Version 6.8.1 Release Notes
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NWChem is now available on Github at
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https://github.com/nwchemgit/nwchem
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New User Manual wiki pages at
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https://github.com/nwchemgit/nwchem/wiki
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NWChem 6.8.1 is released as open-source under the ECL 2.0 license.
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NWChem 6.8.1 will be released with the latest Global Arrays Toolkit (v5.6.3).
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The 6.8.1 release is a maintenance release containing fixes/enhancements for the NWChem 6.8 tree
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NEW FUNCTIONALITY
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N/A
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BUG FIXES/ENHANCEMENTS
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* multiple fixes for moldenfile property
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https://github.com/nwchemgit/nwchem/issues/7
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* fixed Langevin bug and add frequency calculations within qmd
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https://github.com/nwchemgit/nwchem/issues/14
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* introduced "huge" grid to address hessian problems with diffuse functions
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2018-02-06 17:05:38 -08:00
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* ifort 17 needed for compiling offloading code on KNC
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https://github.com/nwchemgit/nwchem/issues/15
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2018-02-06 16:30:49 -08:00
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