214c0cfb2b
add atom_modify map yes, also timers to create_atoms and replicate
2017-10-05 16:44:24 -06:00
cbf3646806
Merge branch 'master' into USER-DPD_kokkos
2017-08-23 15:20:56 -06:00
f945d4567d
new USER-MESO package
2017-08-18 17:33:42 -06:00
bc446bb8b0
Merge branch 'master' into USER-DPD_kokkos_testing
2017-07-25 12:12:30 -06:00
d0470799ac
consistently check for all per-atom-type masses being set only when per-atom masses are not set
...
rather than placing an if statement around every incidence of calling atom->check_mass() to ensure it is only called when per atom masses are not set, we place that check _inside_ Atom::check_mass(). This avoids unexpected error messages.
2017-06-28 06:26:21 -04:00
ea4d11fc5e
Merge branch 'master' into USER-DPD_kokkos_testing
2017-06-26 09:36:30 -06:00
9b9f6d6fe2
USER-INTEL upgrade from M Brown
2017-06-16 16:56:28 -06:00
bceaa57614
Merge branch 'master' into USER-DPD_kokkos as of patch 31Mar17
2017-04-05 15:05:47 -04:00
dcede304df
changes for next patch, 2d disc options for spheres, fix external upgrade, bug fixes for fix ave/chunk for density calcs, Aidan doc page citation deconvolution
2017-03-21 08:56:37 -06:00
de27305227
Merge branch 'master' of https://github.com/lammps/lammps into USER-DPD_kokkos
2017-03-07 11:47:18 -07:00
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
