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INTCEPTION
A molecular integral code generator
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Originally written by James C. Womack (2014-16)
Contributors: James C. Womack, Fred R. Manby
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Generation of source code for the calculation of molecular integrals using recurrence relations. Written in Python 3.x. If you use Intception in your research, please cite J. C. Womack's PhD thesis:
J. C. Womack, "Evaluating Many-Electron Molecular Integrals for Quantum Chemistry", Ph. D., University of Bristol, Bristol, 2015
(DOI: 10.13140/RG.2.1.2485.3843).
Chapter 4 of this thesis describes the original design and implementation of Intception, and can be accessed online at the following URL:
https://doi.org/10.13140/RG.2.1.2485.3843
An example input file, containing usage instructions is available in the examples directory.
Intception is licensed under the GNU General Public License version 3 and comes with ABSOLUTELY NO WARRANTY. This is free software, and you are welcome to redistribute it under certain conditions. See the LICENSE file for details.
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Clarification of status of generated code and input scripts
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The GNU General Public License version 3 (see the LICENSE file, or <http://www.gnu.org/licenses/>) states:
"The output from running a covered work is covered by this License only if the output, given its content, constitutes a covered work." (2. Basic Permissions)
We (the authors of this work) do NOT consider the source code generated by Intception to be a covered work, as defined in the license. You may therefore distribute code generated by Intception under terms of your choice.
This does not constitute an exception or additional permission to the existing
license, but is intended to clarify the status of the output of Intception for
users. We encourage you to make use of code generated by Intception in your own software, regardless of the nature of the license used on that software. Note that we (the authors) accept no liability and provide no warranty for
the software, or the output of the software (see sections 15 and 16 of the GNU General Public License version 3).
Note for developers: If you modify Intception such that the source code generated does constitute a covered work, under the definitions laid out in the
license, please remove the above clarification to avoid confusion.
In addition, we (the authors of this work) do NOT consider user-created scripts which import components of Intception SOLELY FOR THE PURPOSE OF GENERATING SOURCE CODE using Intception to be part of the covered work. We refer to these as "input scripts" and encourage you to create and share your own input scripts under terms of your own choice.
However, we DO consider any substantial larger work which incorporates Intception, or imports parts of Intception, to be a "modified version" of the software, as distinct from an input script, and thus subject to the terms relating to conveying modified source versions (section 5 of the license).