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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.
https://github.com/qcscine/nevpt2
chemistry computational-chemistry quantum-chemistry quantum-chemistry-methods
Last synced: about 2 months ago
JSON representation
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.
- Host: GitHub
- URL: https://github.com/qcscine/nevpt2
- Owner: qcscine
- License: lgpl-2.1
- Created: 2020-10-14T11:26:36.000Z (about 4 years ago)
- Default Branch: master
- Last Pushed: 2021-02-26T17:08:53.000Z (almost 4 years ago)
- Last Synced: 2023-10-20T22:42:30.576Z (about 1 year ago)
- Topics: chemistry, computational-chemistry, quantum-chemistry, quantum-chemistry-methods
- Language: Fortran
- Homepage:
- Size: 274 KB
- Stars: 5
- Watchers: 5
- Forks: 3
- Open Issues: 0
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Metadata Files:
- License: LICENSE