qcscine/nevpt2

QD-NEVPT2 program originally by Angeli, Cimiraglia and Malrieu with QCMaquis DMRG, Cholesky decomposition of integrals and OpenMOLCAS interface support. To be installed and run from OpenMolcas.

语言：Fortran · GitHub 星标：8 · Fork：5

话题：chemistry · computational-chemistry · quantum-chemistry · quantum-chemistry-methods

在 GitHub 上查看原仓库