7dc53b79e3
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
2016-05-14 06:23:48 -04:00
05f90885cd
third round of making per-atom allocations consistent
2016-05-13 15:43:32 -04:00
068898765a
second round of making per-atom allocations consistent.
...
now all sections that dimension per-atom local arrays to atom->nmax
will also *test* for atom->nmax and thus we avoid potential segfaults
in all cases where atom->nlocal or atom->nlocal+atom->nghost are 0.
it doesn't make sense to test for these if the arrays are dimensioned
to atom->nmax afterwards anyway.
2016-05-13 15:10:26 -04:00
4c07a99a7a
make certain, that per atom storage is consistently allocated for per-atom computes
2016-05-13 12:04:47 -04:00
723f02501f
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15058 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-05-13 15:47:27 +00:00
6334768dd1
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15057 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-05-13 15:46:48 +00:00
c126ebf50d
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15054 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-05-13 15:23:05 +00:00
9200f6bf76
make voro array allocations safe for systems with no local atoms in a subdomain
2016-05-13 09:37:05 -04:00
6c80e2cc59
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
2016-05-13 06:15:59 -04:00
c75cc25d6c
tally REBO, LJ and TORSION energy terms into separate accumulators accessible with compute pair
2016-05-12 16:56:24 -04:00
f436dd30f1
fix permissions
2016-05-12 15:47:09 -04:00
c5b34d683d
make airebo code safer against division by zero
2016-05-12 15:46:37 -04:00
3fc88d9205
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15044 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-05-12 14:16:38 +00:00
212f64d2f1
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15040 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-05-12 13:54:17 +00:00
c465f77cb7
update purge list with newly deleted pair style from USER-DPD package
2016-05-12 06:17:32 -04:00
9efcf1359e
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
2016-05-12 06:13:49 -04:00
f7637bf64b
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15035 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-05-11 20:44:08 +00:00
21f3a8318f
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15026 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-05-11 20:25:39 +00:00
6e5353e844
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15025 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-05-11 20:25:03 +00:00
8b330431f3
use sanitized macro for isfinite()
2016-05-11 16:23:27 -04:00
4a164bd7d9
fix write_dump bug reported by Kurt Sjoblom on lammps-users.
2016-05-11 16:21:28 -04:00
63c3134fcd
protect neighbor lists against segfaults due to non-numeric position data
2016-05-11 16:20:55 -04:00
6eab0db61c
do not redeclare per loop variables, that exist globally
2016-05-11 16:15:04 -04:00
df5fe6d5de
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
2016-05-11 06:44:32 -04:00
c0d0b75923
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15024 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-05-10 23:09:22 +00:00
e2790b1c63
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15023 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-05-10 23:06:57 +00:00
5253f2aae1
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15019 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-05-10 22:26:37 +00:00
a6d45861d2
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15016 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-05-10 21:41:51 +00:00
548fa007a6
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
2016-05-10 16:09:06 -04:00
2b75c78f69
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14994 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-05-10 20:03:52 +00:00
e0650f659d
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14990 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-05-10 15:10:11 +00:00
9e23f0540e
Fixing Kokkos bug
...
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14940 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-05-06 19:05:32 +00:00
8ee124a4d8
Fixing Kokkos bug
...
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14939 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-05-06 19:00:45 +00:00
889065b70e
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
2016-05-04 06:15:44 -04:00
f4dc6a4f6d
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
2016-05-03 14:07:24 -04:00
fc871eea78
Merge branch 'chunk-atom-fix' of https://github.com/akohlmey/lammps into merge-pull-55
2016-05-03 13:27:41 -04:00
c696881836
Enabling new kokkos view
...
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14934 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-05-03 16:23:57 +00:00
3b03474d79
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14932 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-05-03 16:22:36 +00:00
8da30644a7
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14930 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-05-03 16:20:44 +00:00
98877f7e3c
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14927 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-05-03 16:11:25 +00:00
bccca1c712
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14926 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-05-03 16:01:16 +00:00
ee668fce7f
Reverting accidental changes
...
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14924 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-05-03 15:39:35 +00:00
1af05e82c2
Collapsing kokkos half and half/thread neighbor lists
...
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14923 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-05-03 14:36:31 +00:00
e54926fc7d
fix typo
2016-05-03 09:21:13 -04:00
c843d01b3b
add check on repeated dimensions in 2d and 3d binning
2016-05-03 09:04:22 -04:00
8ca6dba70b
add check on repeated dimensions in 2d and 3d binning
2016-05-03 08:22:01 -04:00
f627a42fa1
make pair style zero behave consistently wrt missing pair_coeff settings
2016-05-02 21:36:26 -04:00
4a5118732b
add support for writing out parameters to data files
2016-05-02 21:27:22 -04:00
5c16aa0064
avoid segfault when using as hybrid pair style
2016-05-02 19:48:38 -04:00
c5c293d16f
Adding signal handler to Kokkos package
...
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14920 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-05-02 23:01:37 +00:00
