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46 lines
1.6 KiB
Markdown
46 lines
1.6 KiB
Markdown
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NWChem Version 7.2.3 Release Notes
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==================================
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NWChem is now available on Github at
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https://github.com/nwchemgit/nwchem
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User Manual available from the NWChem website
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https://nwchemgit.github.io
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NWChem 7.2.3 is released as open-source under the ECL 2.0 license.
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NWChem 7.2.3 will be released with the latest Global Arrays Toolkit (v5.8.2).
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The 7.2.3 release is a maintenance release containing fixes/enhancements for the NWChem 7.2.0 tree
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The change log below is relative to the 7.2.2 code base.
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NEW FUNCTIONALITY
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-----
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N/A
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BUG FIXES/ENHANCEMENTS
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-----
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* added code to deal with elements up to Z=120
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* added IMOM (Initial Maximum Overlap Method)
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* reworked makefile structure to compile with GNU make 4.4
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* fixes for Python interfaces
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* avoid need of USE_MPI for make clean
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* compiler updates
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* bug fix for VEM in TDDFT
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* updates for IBO and Pipek-Mezey localization
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GITHUB ISSUES ADDRESSED
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----
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* [Cosmo generates NaN when lineq=1](https://github.com/nwchemgit/nwchem/issues/990)
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* [dft-3d URL update](https://github.com/nwchemgit/nwchem/issues/962)
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* [x2c incompatible with cd fitting ](https://github.com/nwchemgit/nwchem/issues/931)
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* [wrong memory setup with floating point input ](https://github.com/nwchemgit/nwchem/issues/930)
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* [modelpotential input not processing bq elements](https://github.com/nwchemgit/nwchem/issues/926)
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* [memory printout cannot handle large memory sizes](https://github.com/nwchemgit/nwchem/issues/838)
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* [O(10^3) global arrays are created from the property code](https://github.com/nwchemgit/nwchem/issues/831)
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