Diffusion lammps (lammm-master) History

USER-OMP
lammm-masterb0ffa46a3bb994e3fe0c157…

Jan 15 2013

flatten outer loop and use more specific template arguments
afaae2555570
·Axel Kohlmeyer on Jan 15 2013, 13:06.

Jan 14 2013

turn all evflag components into template parameters
be809bbd2116
·Axel Kohlmeyer on Jan 14 2013, 19:09.
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.
add /omp versions of MSM compatible pair styles
f9d7ef4d38ca
·Axel Kohlmeyer on Jan 14 2013, 13:14.

Jan 9 2013

Merge branch 'master' into lammps-icms
427161ef56aa
·Axel Kohlmeyer on Jan 9 2013, 13:09.

Jan 2 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9193 f3b2605a-c512-4ea7…
c3ed94c40c1a
·sjplimp on Jan 2 2013, 18:30.

Oct 25 2012

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9002 f3b2605a-c512-4ea7…
6dcb5fb23d35
·sjplimp on Oct 25 2012, 17:35.

Oct 22 2012

remove support for kspace proxy styles
dc90a512268c
·Axel Kohlmeyer on Oct 22 2012, 11:13.
adjust for name change in tip4p styles and removal of proxy styles
23d0292fe4be
·Axel Kohlmeyer on Oct 22 2012, 11:01.
Merge branch 'master' into lammps-icms
ce7ea4907908
·Axel Kohlmeyer on Oct 22 2012, 10:18.

Oct 19 2012

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8975 f3b2605a-c512-4ea7…
f97c62c76ec6
·sjplimp on Oct 19 2012, 17:27.

Oct 12 2012

Merge branch 'master' into lammps-icms
9a0e9670fb05
·Axel Kohlmeyer on Oct 12 2012, 14:46.

Oct 3 2012

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8893 f3b2605a-c512-4ea7…
56887bc96f2f
·sjplimp on Oct 3 2012, 17:30.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8892 f3b2605a-c512-4ea7…
192ba5588f91
·sjplimp on Oct 3 2012, 17:26.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8891 f3b2605a-c512-4ea7…
7eb3ccf732ee
·sjplimp on Oct 3 2012, 17:17.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8885 f3b2605a-c512-4ea7…
6486693ef3b6
·sjplimp on Oct 3 2012, 16:53.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8884 f3b2605a-c512-4ea7…
f5d2d8b1e8b7
·sjplimp on Oct 3 2012, 16:50.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8872 f3b2605a-c512-4ea7…
3af0a1fa598e
·sjplimp on Oct 3 2012, 00:50.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8871 f3b2605a-c512-4ea7…
f3bbe8b36944
·sjplimp on Oct 3 2012, 00:46.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8870 f3b2605a-c512-4ea7…
53b3866b3df4
·sjplimp on Oct 3 2012, 00:46.

Oct 2 2012

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8869 f3b2605a-c512-4ea7…
1adc4fee9892
·sjplimp on Oct 2 2012, 22:23.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8868 f3b2605a-c512-4ea7…
06e67b08dfe6
·sjplimp on Oct 2 2012, 22:12.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8865 f3b2605a-c512-4ea7…
27809e8a2441
·sjplimp on Oct 2 2012, 22:08.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8864 f3b2605a-c512-4ea7…
9a9291036d88
·sjplimp on Oct 2 2012, 22:00.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8863 f3b2605a-c512-4ea7…
fb6436ab4ea7
·sjplimp on Oct 2 2012, 21:59.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8862 f3b2605a-c512-4ea7…
e0540b5c2b4e
·sjplimp on Oct 2 2012, 21:58.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8861 f3b2605a-c512-4ea7…
88af162c7c45
·sjplimp on Oct 2 2012, 21:58.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8860 f3b2605a-c512-4ea7…
ccda8dd203a4
·sjplimp on Oct 2 2012, 21:53.

Sep 20 2012

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8807 f3b2605a-c512-4ea7…
e706cea89765
·sjplimp on Sep 20 2012, 18:03.

Sep 19 2012

incorporate change from upstream
a5d7cc647231
·Axel Kohlmeyer on Sep 19 2012, 23:34.

Sep 4 2012

add mutual support for verlet/split with OpenMP
c3629d841da6
·Axel Kohlmeyer on Sep 4 2012, 14:11.

Aug 27 2012

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8714 f3b2605a-c512-4ea7…
d974674bc5f5
·sjplimp on Aug 27 2012, 16:59.

Aug 25 2012

make granular OpenMP pair styles compatible with upstream
b3575fda8ce0
·Axel Kohlmeyer on Aug 25 2012, 22:45.

Aug 18 2012

Merge branch 'master' into lammps-icms
788b01cd7186
·Axel Kohlmeyer on Aug 18 2012, 23:17.

Aug 17 2012

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8678 f3b2605a-c512-4ea7…
d29dd35c4554
·sjplimp on Aug 17 2012, 15:16.

Jul 26 2012

Merge branch 'master' into lammps-icms
f73d1bffe299
·Axel Kohlmeyer on Jul 26 2012, 13:28.

Jul 25 2012

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8498 f3b2605a-c512-4ea7…
47552d40335e
·sjplimp on Jul 25 2012, 17:16.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8496 f3b2605a-c512-4ea7…
5e52200ad3a8
·sjplimp on Jul 25 2012, 01:14.

Jul 6 2012

workaround for upcoming pppm changes.
c3774f876b1c
·Axel Kohlmeyer on Jul 6 2012, 13:53.

Jul 3 2012

include bugfix from tom coles.
8be34761c8cb
·Axel Kohlmeyer on Jul 3 2012, 17:48.

Jun 30 2012

Merge branch 'master' into lammps-icms
2a099bfedb48
·Axel Kohlmeyer on Jun 30 2012, 17:23.

Jun 29 2012

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8434 f3b2605a-c512-4ea7…
945fc5a36a65
·sjplimp on Jun 29 2012, 20:01.

Jun 25 2012

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8391 f3b2605a-c512-4ea7…
e8ff810ee770
·sjplimp on Jun 25 2012, 18:42.

Jun 24 2012

delete unused variable
47b02a0db346
·Axel Kohlmeyer on Jun 24 2012, 01:56.
update fix qeq/comb with changes from upstream
aa6c10fa9433
·Axel Kohlmeyer on Jun 24 2012, 01:47.
update multi-threaded neighbor list code with new upstream modules.
a47ece862eee
·Axel Kohlmeyer on Jun 24 2012, 01:28.

Jun 23 2012

update to sync with upstream (fix rigid support)
de240b156546
·Axel Kohlmeyer on Jun 23 2012, 23:42.

Jun 20 2012

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8351 f3b2605a-c512-4ea7…
f55e618e9e83
·sjplimp on Jun 20 2012, 16:08.

Jun 19 2012

update granular simulation related code in USER-OMP to upstream
2dcc34728347
·Axel Kohlmeyer on Jun 19 2012, 23:33.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8327 f3b2605a-c512-4ea7…
466dab27e468
·sjplimp on Jun 19 2012, 16:25.

Jun 15 2012

delete unused variable
f33760eaaa2e
·Axel Kohlmeyer on Jun 15 2012, 19:36.
include neighbor list bugfix into multi-threaded neighbor lists
2b40b9c59b62
·Axel Kohlmeyer on Jun 15 2012, 19:35.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8298 f3b2605a-c512-4ea7…
4c4586421771
·sjplimp on Jun 15 2012, 02:38.
more whitespace cleanup
c8e641a72dda
·Axel Kohlmeyer on Jun 15 2012, 02:19.
add multi-threaded versions of lj/cut/coul/long/tip4p
2d454a09d269
·Axel Kohlmeyer on Jun 15 2012, 02:10.

Jun 7 2012

Merge branch 'master' into lammps-icms
48aa45f7f072
·Axel Kohlmeyer on Jun 7 2012, 22:42.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8226 f3b2605a-c512-4ea7…
ef9e70054573
·sjplimp on Jun 7 2012, 00:47.

Jun 4 2012

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8221 f3b2605a-c512-4ea7…
6105d3ea20e3
·sjplimp on Jun 4 2012, 16:30.

Jun 3 2012

adjust code to match upstream changes
b36b069f3d7d
·Axel Kohlmeyer on Jun 3 2012, 00:01.

Jun 2 2012

Merge branch 'master' into lammps-icms
25e319f781aa
·Axel Kohlmeyer on Jun 2 2012, 20:37.

Jun 1 2012

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8208 f3b2605a-c512-4ea7…
4990f2e53ddf
·sjplimp on Jun 1 2012, 21:38.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8206 f3b2605a-c512-4ea7…
978a99e0981f
·sjplimp on Jun 1 2012, 19:20.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8204 f3b2605a-c512-4ea7…
2c77342ed35e
·sjplimp on Jun 1 2012, 19:13.
first batch of power function fixes
2bd9c4379ce3
·Axel Kohlmeyer on Jun 1 2012, 06:59.
proper string constant handling
0458896c0ab9
·Axel Kohlmeyer on Jun 1 2012, 01:48.
remove unused variables
001229ba62d9
·Axel Kohlmeyer on Jun 1 2012, 01:23.
cleanup. sync with non-openmp version
c6a03521ef0e
·Axel Kohlmeyer on Jun 1 2012, 01:07.
for multiplicity 0 ddf1 may be used unitialized => crash.
dfae7ce41b15
·Axel Kohlmeyer on Jun 1 2012, 01:02.
remove unneeded variable
8819bb923c92
·Axel Kohlmeyer on Jun 1 2012, 00:53.

May 31 2012

fix bug in computing 1-3 repulsion
654b39a84163
·Axel Kohlmeyer on May 31 2012, 21:27.
fix bug in cosine/shift angle potential energy calculation.
d314704ec9ed
·Axel Kohlmeyer on May 31 2012, 21:12.

May 29 2012

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8192 f3b2605a-c512-4ea7…
022c83b95fe2
·sjplimp on May 29 2012, 16:52.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8191 f3b2605a-c512-4ea7…
824e0d321c17
·sjplimp on May 29 2012, 16:51.

May 28 2012

add omp versions of newly added improper potentials
bf675125470b
·Axel Kohlmeyer on May 28 2012, 02:03.
update FLD pair styles to the current status.
ebb8499f1a5a
·Axel Kohlmeyer on May 28 2012, 01:28.

May 23 2012

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8159 f3b2605a-c512-4ea7…
144f2f2fd6a8
·sjplimp on May 23 2012, 17:51.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8156 f3b2605a-c512-4ea7…
a3bee6a98b19
·sjplimp on May 23 2012, 17:35.

May 12 2012

make sure cut_respa is initialized to NULL in derived classes that don't…
b9a5be1c6cfb
·Axel Kohlmeyer on May 12 2012, 04:43.
apply optimizations based on suggestion from adian lange
927a9a4c29b1
·Axel Kohlmeyer on May 12 2012, 04:36.

May 11 2012

carry over mike brown's bugfix into /omp version. some formatting cleanup.
d650aef0dfb7
·Axel Kohlmeyer on May 11 2012, 23:29.
drop const from all remaining templated parameters
9a8709ecc46f
·Axel Kohlmeyer on May 11 2012, 22:19.

May 6 2012

Merge branch 'master' into lammps-icms
b332797bb9f4
·Axel Kohlmeyer on May 6 2012, 17:45.

May 4 2012

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8047 f3b2605a-c512-4ea7…
9d3bba4ca834
·sjplimp on May 4 2012, 23:39.

Mar 29 2012

be safer from very small angle/dihedral terms in the bond order calculation
58095ee7b480
·Axel Kohlmeyer on Mar 29 2012, 03:02.

Mar 7 2012

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7924 f3b2605a-c512-4ea7…
6c836ed0e4c1
·sjplimp on Mar 7 2012, 16:51.
more efficient per atom energy and virial support
9a2e4940b9dc
·Axel Kohlmeyer on Mar 7 2012, 00:51.

Mar 5 2012

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7907 f3b2605a-c512-4ea7…
61c4fa6ee0e0
·sjplimp on Mar 5 2012, 16:31.

Mar 3 2012

massive suffix cleanup, fix bug in bonded energy tally
893928fe7c66
·Axel Kohlmeyer on Mar 3 2012, 04:50.

Mar 2 2012

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7883 f3b2605a-c512-4ea7…
b2ccacbdc010
·sjplimp on Mar 2 2012, 16:42.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7881 f3b2605a-c512-4ea7…
4deb839d4b33
·sjplimp on Mar 2 2012, 16:41.
Merge branch 'master' into lammps-icms
172f6724d9df
·Axel Kohlmeyer on Mar 2 2012, 16:00.

Mar 1 2012

enabled support for energy/atom and stress/atom.
70eae9b8ec8c
·Axel Kohlmeyer on Mar 1 2012, 22:22.
fix embarrassing bug in pppm/tip4p/omp. doc-update
b44f860f7072
·Axel Kohlmeyer on Mar 1 2012, 20:01.
incorporate changes from upstream
cee8a7d3739b
·Axel Kohlmeyer on Mar 1 2012, 17:50.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7873 f3b2605a-c512-4ea7…
3fb19bcea664
·sjplimp on Mar 1 2012, 17:48.
update tip4p styles to include upstream bugfix
fa23c5c670ca
·Axel Kohlmeyer on Mar 1 2012, 17:41.

Feb 29 2012

Merge branch 'master' into lammps-icms
90ce52e383b3
·Axel Kohlmeyer on Feb 29 2012, 16:29.

Feb 28 2012

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7859 f3b2605a-c512-4ea7…
2e686fb6cada
·sjplimp on Feb 28 2012, 20:59.

lammps/src/USER-OMPlammm-masterb0ffa46a3bb994e3fe0c157…

Jan 15 2013

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lammps/src/USER-OMP
lammm-masterb0ffa46a3bb994e3fe0c157…