diff --git a/README.md b/README.md index 9acae29..a1b7227 100644 --- a/README.md +++ b/README.md @@ -29,6 +29,8 @@ meson test -C _build --print-errorlogs ## License +### DFT-D4 Code + DFT-D4 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 @@ -38,3 +40,21 @@ DFT-D4 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. + +### ORCA-derived Code in `dftd_cblas.h` and `dftd_matrix.h` + +The files [`include/dftd_cblas.h`](https://github.com/dftd4/cpp-d4/blob/main/include/dftd_cblas.h) and +[`include/dftd_matrix.h`](https://github.com/dftd4/cpp-d4/blob/main/include/dftd_matrix.h) +contain code adapted from the ORCA quantum chemistry program, +which is developed by the group of Prof. Frank Neese at the Max-Planck-Institut für Kohlenforschung, +Mülheim an der Ruhr and FAccTs GmbH. ORCA is licensed by the +Max-Planck-Institut für Kohlenforschung and FAccTs GmbH. + +The inclusion of ORCA code in these files is done with the explicit permission +of the ORCA developers. This code remains subject to the licensing terms +of ORCA, which allow free academic use but require a separate license for +industrial or commercial use. + +For reuse or licensing of the code in `dftd_cblas.h` and `dftd_matrix.h`, please contact +the ORCA team at the Max-Planck-Institut für Kohlenforschung (https://orcaforum.kofo.mpg.de/) +or FAccTs GmbH. (https://www.faccts.de/). diff --git a/include/dftd_cblas.h b/include/dftd_cblas.h index a9ed3a3..1513de8 100644 --- a/include/dftd_cblas.h +++ b/include/dftd_cblas.h @@ -1,19 +1,13 @@ -/* This file is part of cpp-d4. +/* + * This file contains code adapted from the ORCA quantum chemistry program. + * ORCA is developed by the group of Prof. Frank Neese at the Max-Planck-Institut für Kohlenforschung, + * Mülheim an der Ruhr and FAccTs GmbH. ORCA is licensed by the Max-Planck-Institut für Kohlenforschung and FAccTs GmbH. * - * Copyright (C) 2019 Sebastian Ehlert, Marvin Friede + * The inclusion of ORCA code in this file has been done with the explicit permission + * of the ORCA developers. * - * cpp-d4 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. - * - * cpp-d4 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 cpp-d4. If not, see . + * For reuse or licensing of this code, please contact the ORCA team at the Max-Planck-Institut + * für Kohlenforschung (https://orcaforum.kofo.mpg.de/) or FAccTs GmbH (https://www.faccts.de/). */ #pragma once diff --git a/include/dftd_matrix.h b/include/dftd_matrix.h index 401a6e5..79b0e37 100644 --- a/include/dftd_matrix.h +++ b/include/dftd_matrix.h @@ -1,19 +1,13 @@ -/* This file is part of cpp-d4. +/* + * This file contains code adapted from the ORCA quantum chemistry program. + * ORCA is developed by the group of Prof. Frank Neese at the Max-Planck-Institut für Kohlenforschung, + * Mülheim an der Ruhr and FAccTs GmbH. ORCA is licensed by the Max-Planck-Institut für Kohlenforschung and FAccTs GmbH. * - * Copyright (C) 2019 Sebastian Ehlert, Marvin Friede + * The inclusion of ORCA code in this file has been done with the explicit permission + * of the ORCA developers. * - * cpp-d4 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. - * - * cpp-d4 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 cpp-d4. If not, see . + * For reuse or licensing of this code, please contact the ORCA team at the Max-Planck-Institut + * für Kohlenforschung (https://orcaforum.kofo.mpg.de/) or FAccTs GmbH (https://www.faccts.de/). */ #pragma once