lammps/src/USER-REAXC/fix_reaxc_species.cpplammm-devel
lammps/src/USER-REAXC/fix_reaxc_species.cpp
lammm-devel
History Graph
History Graph
Commit | Author | Details | Committed | |||
---|---|---|---|---|---|---|
d3a863e7af1c | Axel Kohlmeyer | when identifying molecules/clusters fall back to unfiltered coordinates for… | Jun 9 2017 | |||
64e8000720ec | Axel Kohlmeyer | expand error message requiring a reax/c derived pair style | Jun 9 2017 | |||
9222278fb5fa | Axel Kohlmeyer | match reax/c pair style variants against prefix and not full name | Jun 9 2017 | |||
412cb8f089bb | Axel Kohlmeyer | avoid hang in fix reax/c/species when multiple atoms have the exact same x… | May 30 2017 | |||
7f9a331c7355 | Steve Plimpton | bugfix for 2 recenty reported neighbor issues, also a ReaxFF fix species issue | May 16 2017 | |||
abeb1e096ab6 | Axel Kohlmeyer | add support for gzip compressed output to fix reax/bonds, reax/c/bonds and… | May 10 2017 | |||
addd87c0f7a4 | Steve Plimpton | new Section package and start doc pages and build scripts | May 4 2017 | |||
d9891abdf4d5 | Steve Plimpton | new library functions | Oct 27 2016 | |||
0434eb168973 | stamoor | Adding Kokkos ReaxFF files | Jun 23 2016 | |||
36776f425b93 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14756 f3b2605a-c512-4ea7… | Mar 21 2016 | |||
32acf721464b | athomps | Simplified non-overlap condition | Dec 5 2015 | |||
354e20f43157 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7… | Oct 30 2015 | |||
062a3575b6c3 | athomps | Made small change to how fix_species affects neighbor frequency | Jul 15 2015 | |||
deb4e7e74cc0 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13376 f3b2605a-c512-4ea7… | Apr 3 2015 | |||
21ac09ad9c9c | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12715 f3b2605a-c512-4ea7… | Nov 18 2014 | |||
2f8e551ce1a3 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12260 f3b2605a-c512-4ea7… | Aug 6 2014 | |||
2cca37351548 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12253 f3b2605a-c512-4ea7… | Aug 6 2014 | |||
ddcab1268e97 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11904 f3b2605a-c512-4ea7… | May 2 2014 | |||
f461504c9398 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11829 f3b2605a-c512-4ea7… | Apr 18 2014 | |||
09c8526430dd | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10875 f3b2605a-c512-4ea7… | Oct 19 2013 | |||
8c16d9ee7bb5 | athomps | Prevented PRD use with changing box | Oct 18 2013 | |||
72d59c438d29 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10841 f3b2605a-c512-4ea7… | Oct 1 2013 | |||
49550263e2ac | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10837 f3b2605a-c512-4ea7… | Oct 1 2013 | |||
f37ae6cb7476 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10161 f3b2605a-c512-4ea7… | Jun 28 2013 | |||
aaf9d08e7463 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9861 f3b2605a-c512-4ea7… | May 10 2013 | |||
5e7a75160a7e | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7458 f3b2605a-c512-4ea7… | Jan 6 2012 | |||
2b742fac28d2 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7455 f3b2605a-c512-4ea7… | Jan 6 2012 |
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