Commit Graph

440 Commits

Author SHA1 Message Date
3a054d1a82 Fix more typos in src files 2017-03-07 00:55:01 -05:00
4b3197202b USER-DPD: Rework SSA to use a new neighbor list structure, ready for Kokkos
NOTE: pair evaluation order changes, causing numerical differences!
Atom pair processing order is fully planned out in npair_half_bin_newton_ssa
Makes the SSA neighbor list structure very different. Do not use by others!
Each local is in ilist, numneigh, and firstneigh four times instead of once.

Changes LAMMPS core code that had been previously changed for USER-DPD/SSA:
Removes ssaAIR[] from class Atom as it is now unused.
Removes ndxAIR_ssa[] from class NeighList as it is now unused.
Increases length of ilist[], numneigh[], and firstneigh[] if SSA flag set.
2017-02-22 15:08:21 -05:00
26d50853e9 Merge branch 'master' as of patch 6Jan17 into USER-DPD_kokkos 2017-01-09 13:12:02 -05:00
42bbeb3f16 NULLing pointers after delete 2017-01-04 16:04:05 +01:00
f47a40b2e4 Fixing Kokkos memory deallocation issue 2016-12-16 10:02:01 -07:00
218e121b41 Merge branch 'master' into bounds-error-with-code-line 2016-10-28 11:11:28 -04:00
d9891abdf4 new library functions 2016-10-27 09:34:04 -06:00
f9a9e27f5a add error location propagation to atom->set_mass() and atom->check_mass() 2016-10-26 16:01:40 -04:00
c46be7db62 changes to imbalance weight factors 2016-10-05 10:33:39 -06:00
b190abea39 sync with GH
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15561 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-09-08 20:20:32 +00:00
083ff54c0c small bug fixes
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15527 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-08-31 20:26:15 +00:00
639ea6c396 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15468 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-08-10 14:59:04 +00:00
d55f968432 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15203 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-06-17 23:48:15 +00:00
6cb38b17d8 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15185 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-06-16 19:49:06 +00:00
04e401ae4b git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15080 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-05-31 16:20:32 +00:00
f86a9f4283 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14515 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-01-28 21:24:58 +00:00
05240f9467 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14427 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-01-12 00:43:44 +00:00
b5086e3d69 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14416 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-01-11 21:59:49 +00:00
7e9270e813 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14381 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-12-17 23:05:20 +00:00
354e20f431 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-10-30 20:04:06 +00:00
b229c719d0 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14163 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-10-22 21:48:05 +00:00
2f7344a02a git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13831 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-08-04 19:55:02 +00:00
1ebb654b4d git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13643 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-07-17 23:20:48 +00:00
3341c4de6b git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13627 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-07-16 23:36:46 +00:00
5a21de608e git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13609 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-07-16 21:21:40 +00:00
2e1c8137c4 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13558 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-07-08 22:23:08 +00:00
1af7b06052 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12827 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-12-12 00:20:19 +00:00
080fe0b70f git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12765 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-11-21 16:34:34 +00:00
d1e51c4359 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12364 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-08-27 16:16:07 +00:00
a0fba99324 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12341 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-08-25 14:29:00 +00:00
0f6eb0877e git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12310 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-08-14 16:30:03 +00:00
4455b66003 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12207 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-07-28 19:58:51 +00:00
1f667449d1 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12069 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-06-04 20:52:04 +00:00
320d269f42 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11939 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-05-07 16:30:05 +00:00
4c9bba90f1 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11937 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-05-07 16:15:31 +00:00
53db68362e git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11935 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-05-07 14:30:27 +00:00
1ffcc7ff8b git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11791 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-04-15 15:32:19 +00:00
fafdfbf5fe git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11739 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-04-08 17:35:21 +00:00
2292ba2c67 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11735 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-04-07 22:53:02 +00:00
3d6ac732ad git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11616 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-03-10 15:45:25 +00:00
19252df8ad git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11403 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-01-30 21:34:55 +00:00
6fbbb51569 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11395 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-01-30 19:47:17 +00:00
cafa578309 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11359 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-01-28 22:39:20 +00:00
9cb5fbfb3d git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11353 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-01-28 21:51:09 +00:00
1f0f8c82c7 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11352 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-01-28 21:50:39 +00:00
d2b514f351 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11351 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-01-28 21:23:26 +00:00
0ce16af78b git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11328 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-01-25 22:46:08 +00:00
41c5be7a8e git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11300 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-01-22 18:33:55 +00:00
bad19033d0 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11250 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-01-17 18:43:09 +00:00
a1ef01fc1a git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11243 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-01-14 16:17:20 +00:00