Skip to content

Update license for ORCA derived code #44

New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Merged
merged 1 commit into from
Jul 2, 2025
Merged

Update license for ORCA derived code #44

Show file tree
Hide file tree
Changes from all commits
Commits
Show all changes
1 commit
Select commit
File filter

Filter by extension

Filter by extension
Conversations
Failed to load comments.
Loading
Jump to
Jump to file
Failed to load files.
Loading
Diff view
Diff view
20 changes: 20 additions & 0 deletions README.md
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -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
Expand All @@ -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/).
22 changes: 8 additions & 14 deletions include/dftd_cblas.h
View file
Open in desktop
Original file line number Diff line number Diff line change
@@ -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 <https://www.gnu.org/licenses/>.
* 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

Expand Down
22 changes: 8 additions & 14 deletions include/dftd_matrix.h
View file
Open in desktop
Original file line number Diff line number Diff line change
@@ -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 <https://www.gnu.org/licenses/>.
* 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
Expand Down