Nov 11, 2017 R3 Public Release
New public release with:
- OpenMP two-electron code (#28)
- To build the OpenMP threaded two-electron code set
GMS_OPENMPflag totruein install.info and Makefile after running config. - See the
INTOMPflag within the$INTGRLgroup for more information.
- To build the OpenMP threaded two-electron code set
- OpenMP HF algorithm with Fock matrix shared among threads (#28)
- See the
SHFOCKflag within the$INTGRLgroup for more information.
- See the