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.
N/A
- 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