GitHub - iotamudelta/libint: Libint is a high-performance library for computing Gaussian integrals in quantum mechanics

This branch is 1197 commits behind evaleev/libint:master.

Name	Name	Last commit message	Last commit date
Latest commit evaleev Finally added df-based build ... define LIBINT2_HAVE_BTAS, add -I for… Sep 14, 2015 52a6ecb · Sep 14, 2015 History 1,034 Commits
bin	bin	Added compiler core tests to the Travis-CI build	Jul 6, 2015
doc	doc	1) Overlap and kinetic energy are computed from 1-d ints. Needs cleanup.	May 12, 2015
export	export	quadrupole moment check should now work with nonstandard orderings	Jul 5, 2015
external	external	Use boost PP to compress verboseness of OneBodyEngine	May 19, 2015
include	include	Added BasisSet assignment oper	Sep 14, 2015
lib	lib	Added Def2-SV basis	Jul 18, 2015
src	src	amended `f4177b7`	Aug 28, 2015
tests	tests	Finally added df-based build ... define LIBINT2_HAVE_BTAS, add -I for…	Sep 14, 2015
.project	.project	added .gitignore and AI logo variant	May 21, 2014
.travis.yml	.travis.yml	travis-ci: debugging export build problems	Nov 28, 2014
CITATION	CITATION	New C++ API = bump to 2.1.0; not complete = beta	Jul 8, 2014
COPYING	COPYING	1) Updated FSF address and refreshed the contents of the LICENSE file.	May 8, 2013
COPYING.LIB	COPYING.LIB	Added LGPL text	Aug 10, 2014
INSTALL	INSTALL	Minor updates to INSTALL.	Aug 4, 2014
LICENSE	LICENSE	Added headers to each C++ source file specifying the license. Most ar…	Aug 10, 2014
Makefile	Makefile	HF test can only run wit standard shell set (but any ordering).	Jul 5, 2015
README	README	Updated project url and bumped copyright year	May 21, 2014
autogen.sh	autogen.sh	Closed evaleev#11 , fix courtesy of @jeffhammond	Jul 31, 2014
configure.ac	configure.ac	fixed processing of LIBINT_SUPPORTS_* macros	Jul 5, 2015
libint2.pc.in	libint2.pc.in	Add include directory to libint2.pc.in	Dec 17, 2013

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LIBINT (version 2) - a library for the evaluation of molecular integrals of many-body operators over Gaussian functions
Copyright (C) 2004-2014 Edward F. Valeev

See INSTALL for installation intructions.

Contact info:
  o project page: http://github.com/evaleev/libint/
  o other info - http://libint.valeyev.net/
  o e-mail - [email protected]