VeloxChem: A Python‐driven density‐functional theory program for spectroscopy simulations in high‐performance computing environments.
VeloxChem: an electronic structure code
Copyright (C) 2018-2024 The VeloxChem developers.
The copyrights for code used from other parties are included in the corresponding files.
VeloxChem is free software: you can redistribute it and/or modify it under the terms of the GNU Lesser General Public License as published by the Free Software Foundation, either version 3 of the License, or (at your option) any later version.
VeloxChem is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU Lesser General Public License for more details.
You should have received a copy of the GNU Lesser General Public License along with VeloxChem. If not, see <https://www.gnu.org/licenses/>.
The journal article reference describing VeloxChem is:
Rinkevicius, Z.; Li, X.; Vahtras, O.; Ahmadzadeh, K.; Brand, M.; Ringholm, M.; List, N. H.; Scheurer, M.; Scott, M.; Dreuw, A.; Norman, P. VeloxChem: A Python‐driven Density‐functional Theory Program for Spectroscopy Simulations in High‐performance Computing Environments. WIREs Comput Mol Sci 2020, 10 (5), e1457.