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