diff --git a/release.notes.7.2.3.md b/release.notes.7.2.3.md new file mode 100644 index 0000000000..b68fe060a1 --- /dev/null +++ b/release.notes.7.2.3.md @@ -0,0 +1,45 @@ +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) +