scine

Software for Chemical Interaction Networks, developed in the Reiher group at ETH Zurich

Zurich, Switzerland

Pinned Repositories

autocas
Language:Python26 3 122
chemoton
Language:Python37 6 34
molassembler
Chemoinformatics toolkit with support for inorganic molecules
Language:C++31 6 157
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.
Language:Fortran5 6 03
puffin
Language:Python8 3 20
qcmaquis
Release-only repository for SCINE QCMaquis, the DMRG software from the Reiher group.
Language:C++31 10 2615
readuct
Language:C++19 7 64
sparrow
Language:C++78 10 2615
swoose
Language:C++12 4 01
utilities
Language:C++6 7 65

scine's Repositories

qcscine/sparrow
Language:C++78 10 2615
qcscine/chemoton
Language:Python37 6 34
qcscine/molassembler
Chemoinformatics toolkit with support for inorganic molecules
Language:C++31 6 157
qcscine/qcmaquis
Release-only repository for SCINE QCMaquis, the DMRG software from the Reiher group.
Language:C++31 10 2615
qcscine/autocas
Language:Python26 3 122
qcscine/readuct
Language:C++19 7 64
qcscine/swoose
Language:C++12 4 01
qcscine/puffin
Language:Python8 3 20
qcscine/utilities
Language:C++6 7 65
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.
Language:Fortran5 6 03
qcscine/core
Language:C++4 5 13
qcscine/heron
Language:Python4 2 01
qcscine/kiwi
Language:C++3 2 01
qcscine/database
Language:C++2 2 3
qcscine/integralevaluator
Language:C++2 2 0
qcscine/xtb_wrapper
Language:C++2 3 32
qcscine/cmake
Language:CMake1 5 3
qcscine/kinetx
Language:C++1 2 0
qcscine/art
Language:Python2 0
qcscine/colibri
Language:C++
qcscine/conan-recipes
Language:Python4 0
qcscine/development-utils
Language:CMake4 41
qcscine/serenity_wrapper
Language:C++2 1