2020-03-05 18:31:10 -08:00
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NWChem Version 7.0.1 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 7.0.1 is released as open-source under the ECL 2.0 license.
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2020-10-09 15:36:27 -07:00
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NWChem 7.0.1 will be released with the latest Global Arrays Toolkit (v5.7.2).
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2020-03-05 18:31:10 -08:00
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The 7.0.1 release is a maintenance release containing fixes/enhancements for the NWChem 7.0.0 tree
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NEW FUNCTIONALITY
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N/A
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BUG FIXES/ENHANCEMENTS
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* nwpw module: fixed error in reading semicore-stress
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* nwpw module: fix for case when peigs is not available and scalapack is
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2020-03-06 10:54:15 -08:00
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* mcscf module: fix for case when peigs is not available and scalapack is
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2020-10-07 18:53:40 -07:00
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* made more Python examples Python 3 compatible
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* switch to Global Arrays version 5.7.2
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* gcc 10 fixes
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* bug fixes for DFTMP2 https://github.com/nwchemgit/nwchem/issues/246
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* bug fixes for xcamb88 https://github.com/nwchemgit/nwchem/issues/223
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* improved scripts for the creating of linear algebra libraries using the env. variables BUILD_OPENBLAS and BUILD_SCALAPACK
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