GitHub - bvrstich/linmol: Semidefinite programming algorithm for the optimization of the 2DM for molecules with axial rotational symmetry. Integrals are calculated using the libint2 library.

Branches Tags

Name		Name	Last commit message	Last commit date
Latest commit History 19 Commits
basissets		basissets
include		include
.gitignore		.gitignore
BlockMatrix.cpp		BlockMatrix.cpp
CartInt.cpp		CartInt.cpp
DPM.cpp		DPM.cpp
EIG.cpp		EIG.cpp
Gauss.cpp		Gauss.cpp
Matrix.cpp		Matrix.cpp
MxElem.cpp		MxElem.cpp
MxElemFiller.cpp		MxElemFiller.cpp
PHM.cpp		PHM.cpp
PPHM.cpp		PPHM.cpp
R.cpp		R.cpp
SPM.cpp		SPM.cpp
SUP.cpp		SUP.cpp
SphInt.cpp		SphInt.cpp
TPM.cpp		TPM.cpp
Tools.cpp		Tools.cpp
Transform.cpp		Transform.cpp
Vector.cpp		Vector.cpp
input.cpp		input.cpp
makefile		makefile
pr_sdp.cpp		pr_sdp.cpp
start.stp		start.stp

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Semidefinite programming algorithm for the optimization of the 2DM for molecules with axial rotational symmetry. Integrals are calculated using the libint2 library.