Diffusion lammps (master) History

History
master2093331cfee38321de75c64…

Feb 1 2013

ignore dso files
2093331cfee3
·Axel Kohlmeyer on Feb 1 2013, 13:49.
refactoring of dihedral_style table.
0b779e30baa6
·Axel Kohlmeyer on Feb 1 2013, 13:44.

Jan 31 2013

default to 1 thread if OMP_NUM_THREADS is not set and make setting consistent…
eaada48ec1bb
·Axel Kohlmeyer on Jan 31 2013, 15:11.

Jan 29 2013

update for recent changes to documentation
8e89ffe622f7
·Axel Kohlmeyer on Jan 29 2013, 13:42.
bugfix for hybrid pair styles.
e040273d4a4f
·Axel Kohlmeyer on Jan 29 2013, 12:07.

Jan 28 2013

double inclusion protection bugfix
4958bb300a69
·Axel Kohlmeyer on Jan 28 2013, 11:46.
Merge branch 'lammps-icms' into lammps-colvars
7d09993e883c
·Axel Kohlmeyer on Jan 28 2013, 11:45.

Jan 26 2013

Merge branch 'master' into lammps-icms
222322ed1b98
·Axel Kohlmeyer on Jan 26 2013, 14:26.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9344 f3b2605a-c512-4ea7…
e6164d65f234
·sjplimp on Jan 26 2013, 01:32.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9343 f3b2605a-c512-4ea7…
d5de73bf9871
·sjplimp on Jan 26 2013, 00:22.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9342 f3b2605a-c512-4ea7…
e1c13c52caaa
·sjplimp on Jan 26 2013, 00:22.

Jan 25 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9340 f3b2605a-c512-4ea7…
69c744cb037b
·sjplimp on Jan 25 2013, 23:41.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9339 f3b2605a-c512-4ea7…
61035d81382a
·sjplimp on Jan 25 2013, 23:41.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9338 f3b2605a-c512-4ea7…
e635e5c0bbd1
·sjplimp on Jan 25 2013, 23:38.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9336 f3b2605a-c512-4ea7…
b0d1ee5c81e1
·sjplimp on Jan 25 2013, 23:30.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9335 f3b2605a-c512-4ea7…
a746399e0206
·sjplimp on Jan 25 2013, 23:30.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9334 f3b2605a-c512-4ea7…
7a1238eef4e6
·sjplimp on Jan 25 2013, 23:24.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9333 f3b2605a-c512-4ea7…
c799bb03d545
·sjplimp on Jan 25 2013, 23:21.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9332 f3b2605a-c512-4ea7…
807f72a6b076
·sjplimp on Jan 25 2013, 21:34.
Updated ReaxFF ZnO citation
19a0bc490e3b
·athomps on Jan 25 2013, 21:01.
Updated ReaxFF ZnO citation
c8086bffe622
·athomps on Jan 25 2013, 20:39.
Updated ReaxFF ZnO citation
298f8732e9c5
·athomps on Jan 25 2013, 20:39.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9326 f3b2605a-c512-4ea7…
6bb2e13a5845
·sjplimp on Jan 25 2013, 17:37.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9325 f3b2605a-c512-4ea7…
3d5cc59bc650
·sjplimp on Jan 25 2013, 17:37.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9324 f3b2605a-c512-4ea7…
6de4a1381a42
·sjplimp on Jan 25 2013, 17:37.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9322 f3b2605a-c512-4ea7…
e55477249963
·sjplimp on Jan 25 2013, 17:33.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9321 f3b2605a-c512-4ea7…
8a00b0e000e6
·sjplimp on Jan 25 2013, 17:33.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9320 f3b2605a-c512-4ea7…
512ceda1f928
·sjplimp on Jan 25 2013, 17:33.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9317 f3b2605a-c512-4ea7…
4ce0dc4a7f50
·sjplimp on Jan 25 2013, 16:23.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9316 f3b2605a-c512-4ea7…
e3cd8655875f
·sjplimp on Jan 25 2013, 16:05.

Jan 24 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9314 f3b2605a-c512-4ea7…
4b2e3298b36a
·sjplimp on Jan 24 2013, 20:19.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9313 f3b2605a-c512-4ea7…
97fe7ba73502
·sjplimp on Jan 24 2013, 20:19.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9312 f3b2605a-c512-4ea7…
a4bc5aa73a55
·sjplimp on Jan 24 2013, 20:17.
Merge branch 'master' into lammps-icms
c7a34efd4b15
·Axel Kohlmeyer on Jan 24 2013, 17:17.
Adding in Axel's special math functions that give about 2% speed-up on the…
30246e8dae99
·pscrozi on Jan 24 2013, 00:13.

Jan 23 2013

Merge branch 'lammps-icms' into lammps-colvars
b2d3a7389ffd
·Axel Kohlmeyer on Jan 23 2013, 13:10.
Merge branch 'master' into lammps-icms
43834891f189
·Axel Kohlmeyer on Jan 23 2013, 13:09.
update colvars module to version 2013-01-23
8e2290c770ba
·Axel Kohlmeyer on Jan 23 2013, 12:16.
Merge branch 'lammps-icms' into lammps-colvars
deeea254b1f0
·Axel Kohlmeyer on Jan 23 2013, 12:01.
Merge branch 'master' into lammps-icms
625f81e5dbb2
·Axel Kohlmeyer on Jan 23 2013, 12:01.

Jan 22 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9310 f3b2605a-c512-4ea7…
d20a395d4df9
·pscrozi on Jan 22 2013, 21:19.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9309 f3b2605a-c512-4ea7…
f0d36d98e96c
·pscrozi on Jan 22 2013, 21:18.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9308 f3b2605a-c512-4ea7…
cda07e598c0f
·sjplimp on Jan 22 2013, 20:09.

Jan 21 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9306 f3b2605a-c512-4ea7…
7930d8b34f8d
·sjplimp on Jan 21 2013, 17:35.
update /omp versions of brownian and lubricate pair styles for changes in…
5b1fe9d76389
·Axel Kohlmeyer on Jan 21 2013, 09:28.
Merge branch 'master' into lammps-icms
af8189610001
·Axel Kohlmeyer on Jan 21 2013, 09:11.

Jan 18 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9303 f3b2605a-c512-4ea7…
fd75622da330
·sjplimp on Jan 18 2013, 22:02.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9302 f3b2605a-c512-4ea7…
6efc2340659c
·sjplimp on Jan 18 2013, 22:00.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9301 f3b2605a-c512-4ea7…
35769609d95c
·sjplimp on Jan 18 2013, 21:55.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9300 f3b2605a-c512-4ea7…
746deead15bf
·sjplimp on Jan 18 2013, 21:46.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9299 f3b2605a-c512-4ea7…
2d6d2de507ff
·sjplimp on Jan 18 2013, 21:39.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9297 f3b2605a-c512-4ea7…
aa62e9b38983
·sjplimp on Jan 18 2013, 17:59.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9296 f3b2605a-c512-4ea7…
580cecfd0971
·sjplimp on Jan 18 2013, 17:58.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9295 f3b2605a-c512-4ea7…
7866cd6a293b
·sjplimp on Jan 18 2013, 17:53.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9294 f3b2605a-c512-4ea7…
43e422a6833f
·sjplimp on Jan 18 2013, 17:04.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9293 f3b2605a-c512-4ea7…
bbb9f5d88e2c
·sjplimp on Jan 18 2013, 17:03.
Merge branch 'lammps-icms' into lammps-colvars
436f9457232b
·Axel Kohlmeyer on Jan 18 2013, 13:54.
Merge branch 'master' into lammps-icms
e1709a44891d
·Axel Kohlmeyer on Jan 18 2013, 13:50.

Jan 17 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9291 f3b2605a-c512-4ea7…
9639777677b4
·sjplimp on Jan 17 2013, 21:14.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9290 f3b2605a-c512-4ea7…
78aaed5f2215
·sjplimp on Jan 17 2013, 21:13.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9288 f3b2605a-c512-4ea7…
9cd44aec3346
·sjplimp on Jan 17 2013, 19:03.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9287 f3b2605a-c512-4ea7…
474bb7715443
·sjplimp on Jan 17 2013, 19:00.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9286 f3b2605a-c512-4ea7…
96d5a89f71a8
·sjplimp on Jan 17 2013, 19:00.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9285 f3b2605a-c512-4ea7…
f867e83a7767
·sjplimp on Jan 17 2013, 18:42.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9284 f3b2605a-c512-4ea7…
bd896f53f284
·sjplimp on Jan 17 2013, 18:42.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9282 f3b2605a-c512-4ea7…
806b7d4ad344
·sjplimp on Jan 17 2013, 17:02.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9281 f3b2605a-c512-4ea7…
c7de83772485
·sjplimp on Jan 17 2013, 17:01.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9280 f3b2605a-c512-4ea7…
56a3ae0ecad6
·sjplimp on Jan 17 2013, 16:59.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9279 f3b2605a-c512-4ea7…
b078dc5e0beb
·sjplimp on Jan 17 2013, 16:56.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9278 f3b2605a-c512-4ea7…
87f2415519d6
·sjplimp on Jan 17 2013, 16:52.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9277 f3b2605a-c512-4ea7…
f51ad982f602
·sjplimp on Jan 17 2013, 16:51.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9276 f3b2605a-c512-4ea7…
f70511be8768
·sjplimp on Jan 17 2013, 16:50.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9275 f3b2605a-c512-4ea7…
2cc946fdb5ba
·sjplimp on Jan 17 2013, 16:48.
Merge branch 'master' into lammps-icms
c0c44e028305
·Axel Kohlmeyer on Jan 17 2013, 10:11.

Jan 16 2013

fix another merge bug
48fbb5605f1b
·Axel Kohlmeyer on Jan 16 2013, 13:49.
correct error from broken merge
100cafe5fffc
·Axel Kohlmeyer on Jan 16 2013, 13:47.
fix bug in energy accounting for hybrid pair styles
d39910bd4cf5
·Axel Kohlmeyer on Jan 16 2013, 13:34.
Merge branch 'lammps-icms' into lammps-colvars
295eec0a356e
·Axel Kohlmeyer on Jan 16 2013, 11:16.
Merge branch 'master' into lammps-icms
71850a151844
·Axel Kohlmeyer on Jan 16 2013, 09:09.

Jan 15 2013

Initialized force in default single()
0c292ed53383
·athomps on Jan 15 2013, 20:08.
Changed pre_exchange flag
b95500d33047
·athomps on Jan 15 2013, 20:07.
Merge branch 'lammps-icms' into lammps-colvars
2d6cab1edb38
·Axel Kohlmeyer on Jan 15 2013, 19:05.
fix another typo from cut-n-paste
5b513be37e3e
·Axel Kohlmeyer on Jan 15 2013, 19:03.
fix typo
8ddab3b7db97
·Axel Kohlmeyer on Jan 15 2013, 16:33.
remove unused variable definitions
7da6e7cd1ab7
·Axel Kohlmeyer on Jan 15 2013, 13:09.
flatten outer loop and use more specific template arguments
afaae2555570
·Axel Kohlmeyer on Jan 15 2013, 13:06.
merge in improvements from stan moore
984333c11297
·Axel Kohlmeyer on Jan 15 2013, 13:05.
undo bogus bugfix
0c29ff163492
·Axel Kohlmeyer on Jan 15 2013, 09:05.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9272 f3b2605a-c512-4ea7…
94a21c0d3d36
·sjplimp on Jan 15 2013, 01:05.

Jan 14 2013

turn all evflag components into template parameters
be809bbd2116
·Axel Kohlmeyer on Jan 14 2013, 19:09.
make gamma and dgamma inline functions for extra speed.
bf35e0cdc30e
·Axel Kohlmeyer on Jan 14 2013, 18:51.
we need to provide MSMOMP::compute() as well, to call reduce_thr().
26877613a9df
·Axel Kohlmeyer on Jan 14 2013, 18:51.
small serial optimizations
d81a3671db8b
·Axel Kohlmeyer on Jan 14 2013, 17:41.
added msm/omp style
bb65b1c96d12
·Axel Kohlmeyer on Jan 14 2013, 17:12.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9271 f3b2605a-c512-4ea7…
4f2bdac177d6
·sjplimp on Jan 14 2013, 16:59.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9270 f3b2605a-c512-4ea7…
4c71fc231141
·sjplimp on Jan 14 2013, 16:56.
add /omp versions of MSM compatible pair styles
f9d7ef4d38ca
·Axel Kohlmeyer on Jan 14 2013, 13:14.
there is no coulomb switching with long-range.
a2d955da5cb2
·Axel Kohlmeyer on Jan 14 2013, 13:11.
Merge branch 'lammps-icms' into lammps-colvars
b826d2958ef1
·Axel Kohlmeyer on Jan 14 2013, 12:22.
used double precision FFT for MSM support
bf7d8848022d
·Axel Kohlmeyer on Jan 14 2013, 12:18.

Historymaster2093331cfee38321de75c64…

Feb 1 2013

Jan 31 2013

Jan 29 2013

Jan 28 2013

Jan 26 2013

Jan 25 2013

Jan 24 2013

Jan 23 2013

Jan 22 2013

Jan 21 2013

Jan 18 2013

Jan 17 2013

Jan 16 2013

Jan 15 2013

Jan 14 2013

History
master2093331cfee38321de75c64…