qcscine Goto Github PK
Name: scine
Type: Organization
Bio: Software for Chemical Interaction Networks, developed in the Reiher group at ETH Zurich
Location: Zurich, Switzerland
Blog: https://scine.ethz.ch/
Name: scine
Type: Organization
Bio: Software for Chemical Interaction Networks, developed in the Reiher group at ETH Zurich
Location: Zurich, Switzerland
Blog: https://scine.ethz.ch/
Chemoinformatics toolkit with support for inorganic molecules
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.
Release-only repository for SCINE QCMaquis, the DMRG software from the Reiher group.
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