GitHub - fevangelista/cdft: A constrained DFT plugin for Psi4

Name		Name	Last commit message	Last commit date
Latest commit History 119 Commits
tests		tests
.gitignore		.gitignore
README		README
__init__.py		__init__.py
cdft.cc		cdft.cc
constraint.cc		constraint.cc
constraint.h		constraint.h
determinant.cc		determinant.cc
determinant.h		determinant.h
doc.rst		doc.rst
fasnocis.cc		fasnocis.cc
fasnocis.h		fasnocis.h
helpers.cc		helpers.cc
helpers.h		helpers.h
input.dat		input.dat
junk.h		junk.h
noci.cc		noci.cc
noci.h		noci.h
noci_mat.cc		noci_mat.cc
noci_mat.h		noci_mat.h
ocdft.cc		ocdft.cc
ocdft.h		ocdft.h
psi4-noci.config		psi4-noci.config
psi4-noci.creator		psi4-noci.creator
psi4-noci.files		psi4-noci.files
psi4-noci.includes		psi4-noci.includes
pymodule.py		pymodule.py
rcks.cc		rcks.cc
rcks.h		rcks.h
ucks.cc		ucks.cc
ucks.h		ucks.h
ucks_determinant.cc		ucks_determinant.cc

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cdft
====

A constrained DFT plugin for Psi4