Diffusion lammps (master) History

lammps/src/USER-REAXC/fix_reaxc_species.cpp
master2cd7cbd964152d0afcdd18a…

Jul 18 2017

fix memory corruption issue in fix reax/c/species
148364949e21
·Axel Kohlmeyer on Jul 18 2017, 22:11.

Jun 21 2017

dead code removal
0cfe8980d4ca
·Axel Kohlmeyer on Jun 21 2017, 04:07.

Jun 19 2017

cleanup from aidan for fix reax/c/species and its KOKKOS version
8c54fcd1b6c9
·Axel Kohlmeyer on Jun 19 2017, 23:31.

Jun 9 2017

when identifying molecules/clusters fall back to unfiltered coordinates for…
d3a863e7af1c
·Axel Kohlmeyer on Jun 9 2017, 20:35.
expand error message requiring a reax/c derived pair style
64e8000720ec
·Axel Kohlmeyer on Jun 9 2017, 17:42.
match reax/c pair style variants against prefix and not full name
9222278fb5fa
·Axel Kohlmeyer on Jun 9 2017, 17:00.

May 30 2017

avoid hang in fix reax/c/species when multiple atoms have the exact same x…
412cb8f089bb
·Axel Kohlmeyer on May 30 2017, 14:15.

May 16 2017

bugfix for 2 recenty reported neighbor issues, also a ReaxFF fix species issue
7f9a331c7355
·Steve Plimpton on May 16 2017, 23:51.

May 10 2017

add support for gzip compressed output to fix reax/bonds, reax/c/bonds and…
abeb1e096ab6
·Axel Kohlmeyer on May 10 2017, 17:19.

May 4 2017

new Section package and start doc pages and build scripts
addd87c0f7a4
·Steve Plimpton on May 4 2017, 19:22.

Oct 27 2016

new library functions
d9891abdf4d5
·Steve Plimpton on Oct 27 2016, 17:34.

Jun 23 2016

Adding Kokkos ReaxFF files
0434eb168973
·stamoor on Jun 23 2016, 22:11.

Mar 21 2016

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14756 f3b2605a-c512-4ea7…
36776f425b93
·sjplimp on Mar 21 2016, 17:01.

Dec 5 2015

Simplified non-overlap condition
32acf721464b
·athomps on Dec 5 2015, 04:32.

Oct 30 2015

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7…
354e20f43157
·sjplimp on Oct 30 2015, 21:04.

Jul 15 2015

Made small change to how fix_species affects neighbor frequency
062a3575b6c3
·athomps on Jul 15 2015, 18:53.

Apr 3 2015

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13376 f3b2605a-c512-4ea7…
deb4e7e74cc0
·sjplimp on Apr 3 2015, 15:57.

Nov 18 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12715 f3b2605a-c512-4ea7…
21ac09ad9c9c
·sjplimp on Nov 18 2014, 01:17.

Aug 6 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12260 f3b2605a-c512-4ea7…
2f8e551ce1a3
·sjplimp on Aug 6 2014, 19:17.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12253 f3b2605a-c512-4ea7…
2cca37351548
·sjplimp on Aug 6 2014, 18:07.

May 2 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11904 f3b2605a-c512-4ea7…
ddcab1268e97
·sjplimp on May 2 2014, 23:38.

Apr 18 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11829 f3b2605a-c512-4ea7…
f461504c9398
·sjplimp on Apr 18 2014, 17:25.

Oct 19 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10875 f3b2605a-c512-4ea7…
09c8526430dd
·sjplimp on Oct 19 2013, 01:17.

Oct 18 2013

Prevented PRD use with changing box
8c16d9ee7bb5
·athomps on Oct 18 2013, 20:54.

Oct 1 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10841 f3b2605a-c512-4ea7…
72d59c438d29
·sjplimp on Oct 1 2013, 16:11.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10837 f3b2605a-c512-4ea7…
49550263e2ac
·sjplimp on Oct 1 2013, 15:44.

Jun 28 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10161 f3b2605a-c512-4ea7…
f37ae6cb7476
·sjplimp on Jun 28 2013, 21:06.

May 10 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9861 f3b2605a-c512-4ea7…
aaf9d08e7463
·sjplimp on May 10 2013, 19:32.

Jan 6 2012

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7458 f3b2605a-c512-4ea7…
5e7a75160a7e
·sjplimp on Jan 6 2012, 21:58.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7455 f3b2605a-c512-4ea7…
2b742fac28d2
·sjplimp on Jan 6 2012, 21:41.