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Fix for extep when NULL or only some elements from potential file are used. #1494
This PR fixes force field file parsing for pair_style extep if
Michał Kański, Jagiellonian University
By submitting this pull request, I agree, that my contribution will be included in LAMMPS and redistributed under either the GNU General Public License version 2 (GPL v2) or the GNU Lesser General Public License version 2.1 (LGPL v2.1).
The problems are described in #1493.
I'm attaching a set of tests to check the correctness of the changes.
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changed the title
Fixed for extep when NULL or only some elements from potential file are used.
Jun 5, 2019
I think there were a few more updates needed. more importantly. the file format allows the first part of the potential file be spread out over multiple lines. thus we need a smarter test. we now test for the first letter in the first 2-3 words. if the first 3 words, it is an old input, if there are two, it is a new section of the file.