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Projects in Awesome Lists by qcscine

A curated list of projects in awesome lists by qcscine .

https://github.com/qcscine/qcmaquis

Release-only repository for SCINE QCMaquis, the DMRG software from the Reiher group.

chemistry computational-chemistry quantum-chemistry quantum-chemistry-methods

Last synced: 20 Dec 2024

https://github.com/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.

chemistry computational-chemistry quantum-chemistry quantum-chemistry-methods

Last synced: 07 Nov 2024

https://github.com/qcscine/kinetx

Last synced: 07 Nov 2024

https://github.com/qcscine/colibri

Last synced: 07 Nov 2024