GitHub - baopengbp/mpi4pyscf: MPI parallelization for PySCF

This branch is 5 commits ahead of, 33 commits behind pyscf/mpi4pyscf:master.

Name	Name	Last commit message	Last commit date
Latest commit baopengbp Update 01-parallel_krhf_occ.py Oct 27, 2023 63ae884 · Oct 27, 2023 History 166 Commits
cc	cc	Update dump_flags api	Jul 26, 2019
dft	dft	Update dump_flags api	Jul 26, 2019
examples	examples	Update 01-parallel_krhf_occ.py	Oct 27, 2023
lib	lib	CCSD restart	May 16, 2018
mp	mp	Update dump_flags api	Jul 26, 2019
pbc	pbc	Add files via upload	Oct 21, 2019
scf	scf	Update dump_flags api	Jul 26, 2019
tools	tools	Merge branch 'master' of ssh://github.com/sunqm/mpi4pyscf	Apr 7, 2019
.gitignore	.gitignore	Initialize MPI parallel branch for pyscf	Jul 24, 2016
AUTHORS	AUTHORS	Initialize MPI parallel branch for pyscf	Jul 24, 2016
LICENSE	LICENSE	Initial commit	Jul 24, 2016
README	README	Initialize MPI parallel branch for pyscf	Jul 24, 2016
__init__.py	__init__.py	Update version check	Jan 6, 2019