Diffusion lammps (lammm-master) History

lammps/src
lammm-masterb0ffa46a3bb994e3fe0c157…

Dec 18 2015

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
50c38d886687
·Axel Kohlmeyer on Dec 18 2015, 13:15.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14383 f3b2605a-c512-4ea7…
fb2cb218c8ef
·sjplimp on Dec 18 2015, 00:18.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14382 f3b2605a-c512-4ea7…
71b325e52f5a
·sjplimp on Dec 18 2015, 00:09.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14381 f3b2605a-c512-4ea7…
7e9270e81384
·sjplimp on Dec 18 2015, 00:05.

Dec 17 2015

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14379 f3b2605a-c512-4ea7…
f7e17e97e8f3
·sjplimp on Dec 17 2015, 16:46.

Dec 16 2015

dead code removal
bb6de06ecaef
·Axel Kohlmeyer on Dec 16 2015, 18:26.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14378 f3b2605a-c512-4ea7…
df7e89f9f7b4
·sjplimp on Dec 16 2015, 17:47.
undo best practices violation for headers in USER-PHONON
91b947f29c30
·Axel Kohlmeyer on Dec 16 2015, 13:43.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
1aeecfb0cfcf
·Axel Kohlmeyer on Dec 16 2015, 13:31.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14377 f3b2605a-c512-4ea7…
8dff51d5c93c
·sjplimp on Dec 16 2015, 00:48.

Dec 15 2015

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14373 f3b2605a-c512-4ea7…
ead53bc9e7c6
·sjplimp on Dec 15 2015, 23:33.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14372 f3b2605a-c512-4ea7…
0939eb1ee963
·sjplimp on Dec 15 2015, 23:30.
add check to fix SRP to print a warning, if it is pre-empted by other fixes
5568b56ef299
·Axel Kohlmeyer on Dec 15 2015, 14:59.
incorporate workaround from christian for gcc 5.1 bug
8621a02d0828
·Axel Kohlmeyer on Dec 15 2015, 05:57.

Dec 14 2015

honor LAMMPS_POTENTIALS consistently in COMB3
e4897f9c7240
·Axel Kohlmeyer on Dec 14 2015, 23:21.

Dec 12 2015

remove unused variable
1713cdacf098
·Axel Kohlmeyer on Dec 12 2015, 14:06.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
9195c252ee00
·Axel Kohlmeyer on Dec 12 2015, 14:04.
no need for atom types in coul/wolf/kk and coul/dsf/kk pair styles
9b01eec43697
·Axel Kohlmeyer on Dec 12 2015, 06:33.
update makefile to be KOKKOS compatible
6c5580af0221
·Axel Kohlmeyer on Dec 12 2015, 06:04.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14363 f3b2605a-c512-4ea7…
06370a8d7a7c
·sjplimp on Dec 12 2015, 00:33.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14360 f3b2605a-c512-4ea7…
aecaf0bf5293
·sjplimp on Dec 12 2015, 00:29.
Allowed non-full_energy with triclinic
921bcfb12d17
·athomps on Dec 12 2015, 00:15.

Dec 11 2015

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14358 f3b2605a-c512-4ea7…
762f48e52855
·sjplimp on Dec 11 2015, 23:20.
silence compiler warnings. the code is correct.
fc239af397cf
·Axel Kohlmeyer on Dec 11 2015, 16:56.
update permissions
4b7c09505437
·Axel Kohlmeyer on Dec 11 2015, 16:56.
silence compiler warnings
3f82c0f5046a
·Axel Kohlmeyer on Dec 11 2015, 16:55.
Merge branch 'merge-pull-22' into lammps-icms
de060a56ad58
·Axel Kohlmeyer on Dec 11 2015, 13:35.
Merge branch 'master' into lammps-icms
5affb6c013bd
·Axel Kohlmeyer on Dec 11 2015, 13:33.
Merge branch 'pull-requests' of git://github.com/crtrott/lammps into merge-pull…
526e5b74647e
·Axel Kohlmeyer on Dec 11 2015, 13:24.

Dec 10 2015

Fix an issue with usage of isfinite
4099f540dd26
·crtrott on Dec 10 2015, 19:48.
Kokkos: fix an issue with usage of DualView
c57fc903cf99
·crtrott on Dec 10 2015, 19:47.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14352 f3b2605a-c512-4ea7…
d94f71a6a873
·sjplimp on Dec 10 2015, 18:42.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14350 f3b2605a-c512-4ea7…
03a900697933
·sjplimp on Dec 10 2015, 18:38.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14347 f3b2605a-c512-4ea7…
86a4507b00c1
·sjplimp on Dec 10 2015, 17:55.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14346 f3b2605a-c512-4ea7…
807e00de9333
·sjplimp on Dec 10 2015, 17:54.
Fixing region issue
59e5d3667165
·stamoor on Dec 10 2015, 17:04.
transfer updates from angle style dipole to dipole/omp
b2a75f111c35
·Axel Kohlmeyer on Dec 10 2015, 13:23.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
e7d896a45938
·Axel Kohlmeyer on Dec 10 2015, 12:29.

Dec 9 2015

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14338 f3b2605a-c512-4ea7…
93919c35bf48
·sjplimp on Dec 9 2015, 23:38.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14336 f3b2605a-c512-4ea7…
ab0107595639
·sjplimp on Dec 9 2015, 23:31.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14335 f3b2605a-c512-4ea7…
704f170053c9
·sjplimp on Dec 9 2015, 23:31.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14334 f3b2605a-c512-4ea7…
82d5d73bbacd
·sjplimp on Dec 9 2015, 23:31.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14331 f3b2605a-c512-4ea7…
493f9c469b7a
·sjplimp on Dec 9 2015, 22:44.
Kokkos: Fix again wrong usage of DualView
5146f1894fae
·crtrott on Dec 9 2015, 22:16.
Replacing use of isfinite with macro ISFINITE
86b22bb8c990
·crtrott on Dec 9 2015, 21:40.
Kokkos: Fix wrong usage of dual view in verlet_kokkos
9e70d356c2dc
·crtrott on Dec 9 2015, 21:37.
Merge remote-tracking branch 'main/master'
b35aaf4e756a
·crtrott on Dec 9 2015, 21:35.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14322 f3b2605a-c512-4ea7…
11fe1e862de6
·sjplimp on Dec 9 2015, 19:17.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14319 f3b2605a-c512-4ea7…
90100b4eb02a
·sjplimp on Dec 9 2015, 18:45.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14318 f3b2605a-c512-4ea7…
c2db79391f9c
·sjplimp on Dec 9 2015, 18:45.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14317 f3b2605a-c512-4ea7…
21260340e42b
·sjplimp on Dec 9 2015, 18:30.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14308 f3b2605a-c512-4ea7…
a473a42a9c3c
·sjplimp on Dec 9 2015, 17:59.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14307 f3b2605a-c512-4ea7…
1860c2d764a8
·sjplimp on Dec 9 2015, 16:41.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
0010e7c7b6d9
·Axel Kohlmeyer on Dec 9 2015, 14:55.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14301 f3b2605a-c512-4ea7…
b13f9b8c675b
·sjplimp on Dec 9 2015, 00:52.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14294 f3b2605a-c512-4ea7…
6000ad1bb77b
·sjplimp on Dec 9 2015, 00:28.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14290 f3b2605a-c512-4ea7…
7e710a0fe3bf
·sjplimp on Dec 9 2015, 00:13.

Dec 8 2015

Merge branch 'srp-refactor' into lammps-icms
8446b8cc1b31
·Axel Kohlmeyer on Dec 8 2015, 20:57.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
4f2c55d12ed5
·Axel Kohlmeyer on Dec 8 2015, 20:57.
include bugfixes from tim sirk for pair srp to complete refactoring
9e4bb887aa36
·Axel Kohlmeyer on Dec 8 2015, 20:55.

Dec 5 2015

Simplified non-overlap condition
32acf721464b
·athomps on Dec 5 2015, 04:32.
Cleaned up sna factorial table
9ae8b64f9a5c
·athomps on Dec 5 2015, 04:31.
prevented reorder from being used with fix gcmc
5087bdb20c59
·athomps on Dec 5 2015, 04:28.
removed print statement
f7702fd7e388
·athomps on Dec 5 2015, 04:27.

Dec 4 2015

Added missing normalization to vector case
2271d9168e52
·athomps on Dec 4 2015, 22:56.
Fixed error in average option
d241f928c85b
·athomps on Dec 4 2015, 20:29.
Fixed error in average option
28e3ebfd102e
·athomps on Dec 4 2015, 20:06.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
d21bbb3efb20
·Axel Kohlmeyer on Dec 4 2015, 15:33.

Dec 3 2015

Fixed problem in column_length(int)
853eab89178f
·athomps on Dec 3 2015, 23:57.
Merge branch 'lammps-icms' of bitbucket.org:akohlmey/lammps-icms into lammps…
cda16b1bd3c3
·Axel Kohlmeyer on Dec 3 2015, 00:07.
add paolo raiteri's contributions README
ddc83f6ed0b4
·Axel Kohlmeyer on Dec 3 2015, 00:06.

Dec 2 2015

update paolo raiteri's code and docs to match LAMMPS' conventions.
aac76184756b
·Axel Kohlmeyer on Dec 2 2015, 23:31.
import contributed code from paolo raiteri into USER-MISC
f4523f2d8b37
·Axel Kohlmeyer on Dec 2 2015, 23:15.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
2a9ea44bf8c7
·Axel Kohlmeyer on Dec 2 2015, 15:15.
Added average keyword
00738a8baa2b
·athomps on Dec 2 2015, 06:06.
code can run now from restart and data file with existing bond particles.
7edc6c212676
·Axel Kohlmeyer on Dec 2 2015, 01:02.

Dec 1 2015

implement the always-delete approach to srp. also make bptype a possible input…
2b526801f4fd
·Axel Kohlmeyer on Dec 1 2015, 23:09.
Fixed undefined tdof in setup
3ca986fc6ad9
·athomps on Dec 1 2015, 22:42.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14276 f3b2605a-c512-4ea7…
e99393473295
·sjplimp on Dec 1 2015, 15:32.

Nov 30 2015

only add topology counts during the first pass of reading a data file.
0927549df87d
·Axel Kohlmeyer on Nov 30 2015, 20:50.

Nov 24 2015

move lj/cut/thole/long/omp into USER-OMP directory, so it is properly installed…
7bb39e299685
·Axel Kohlmeyer on Nov 24 2015, 20:04.
Merge branch 'master' of git://github.com/jdevemy/lammps into merge-pull-20
9764280bb2f7
·Axel Kohlmeyer on Nov 24 2015, 19:43.
Add pair lj/cut/thole/long/omp
fd127b82c458
·Julien Devemy on Nov 24 2015, 15:34.

Nov 21 2015

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
bfc3209b8dbd
·Axel Kohlmeyer on Nov 21 2015, 12:58.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14271 f3b2605a-c512-4ea7…
355ba86d8b8a
·sjplimp on Nov 21 2015, 01:35.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14270 f3b2605a-c512-4ea7…
b10ae0abaf08
·sjplimp on Nov 21 2015, 01:35.

Nov 19 2015

merge of remaining commits from upstream
25432292fbbf
·Axel Kohlmeyer on Nov 19 2015, 14:30.
Changed the factorial table to static member
b434d4718b61
·athomps / Axel Kohlmeyer on Nov 19 2015, 14:11.
write data bugfix
74269404e0c6
·Julien Devemy / Axel Kohlmeyer on Nov 19 2015, 14:10.
compute scalar
7c977081ba36
·Julien Devemy / Axel Kohlmeyer on Nov 19 2015, 14:10.
Molecular template and bugfix is_reduced
aadb8de89b91
·Julien Devemy / Axel Kohlmeyer on Nov 19 2015, 14:10.
Molecular template and bugfix is_reduced
75bbf481f509
·Julien Devemy on Nov 19 2015, 09:32.
compute scalar
42b88f2fa2b3
·Julien Devemy on Nov 19 2015, 09:32.
write data bugfix
9d6c2bfbc4c9
·Julien Devemy on Nov 19 2015, 09:31.

Nov 18 2015

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14266 f3b2605a-c512-4ea7…
77f8955d4ec4
·sjplimp on Nov 18 2015, 19:23.
Changed the factorial table to static member
f496b51d5653
·athomps on Nov 18 2015, 00:10.

Nov 17 2015

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14258 f3b2605a-c512-4ea7…
99c4b4cb2236
·sjplimp on Nov 17 2015, 22:43.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
c763fc92fe1c
·Axel Kohlmeyer on Nov 17 2015, 13:13.
Updated compute hexorder/atom, added compute orientorder/atom
27798d4f4ec5
·athomps on Nov 17 2015, 00:14.

Nov 16 2015

Updated compute hexorder/atom, added compute orientorder/atom
c28bd3c3ff2b
·athomps on Nov 16 2015, 23:37.