scine
Software for Chemical Interaction Networks, developed in the Reiher group at ETH Zurich
Zurich, Switzerland
Pinned Repositories
autocas
chemoton
molassembler
Chemoinformatics toolkit with support for inorganic molecules
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.
puffin
qcmaquis
Release-only repository for SCINE QCMaquis, the DMRG software from the Reiher group.
readuct
sparrow
swoose
utilities
scine's Repositories
qcscine/sparrow
qcscine/chemoton
qcscine/molassembler
Chemoinformatics toolkit with support for inorganic molecules
qcscine/qcmaquis
Release-only repository for SCINE QCMaquis, the DMRG software from the Reiher group.
qcscine/autocas
qcscine/readuct
qcscine/swoose
qcscine/puffin
qcscine/utilities
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.
qcscine/core
qcscine/heron
qcscine/kiwi
qcscine/database
qcscine/integralevaluator
qcscine/xtb_wrapper
qcscine/cmake
qcscine/kinetx
qcscine/art
qcscine/colibri
qcscine/conan-recipes
qcscine/development-utils
qcscine/serenity_wrapper