Pinned Repositories
libecpint
A C++ library for the efficient evaluation of integrals over effective core potentials.
PentaceneDFT
pyscf
Python module for quantum chemistry
votca
The source of the votca-csg and xtp packages
libecpint
A C++ library for the efficient evaluation of integrals over effective core potentials.
ctp
charge transport module
PyVOTCA
Generic tools to interact with Votca using Python
tools
generic tools module
votca
The source of the votca-csg and xtp packages
xtp
GW-BSE for excited state Quantum Chemistry in a Gaussian Orbital basis, electronic spectroscopy with QM/MM, charge and energy dynamics in complex molecular systems
baumeier's Repositories
baumeier/votca
The source of the votca-csg and xtp packages
baumeier/libecpint
A C++ library for the efficient evaluation of integrals over effective core potentials.
baumeier/PentaceneDFT
baumeier/pyscf
Python module for quantum chemistry