Diffusion lammps (efficient_neuronet) History

USER-OMP
efficient_neuronet

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.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7850 f3b2605a-c512-4ea7…
3450c008aa00
·sjplimp on Feb 28 2012, 18:29.

Feb 27 2012

add pppm/tip4p/omp kspace style. still buggy
f83c6ea8e352
·Axel Kohlmeyer on Feb 27 2012, 02:23.
make code more readable
282baa8a5c45
·Axel Kohlmeyer on Feb 27 2012, 02:23.

Feb 17 2012

missing change
a328a5a84690
·Axel Kohlmeyer on Feb 17 2012, 18:31.
Merge branch 'master' into lammps-icms
10d6ca2cca1a
·Axel Kohlmeyer on Feb 17 2012, 15:46.
bugfix for Install.sh scripts.
7cad945d6172
·Axel Kohlmeyer on Feb 17 2012, 15:36.

Feb 16 2012

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7808 f3b2605a-c512-4ea7…
b4bc9c69560b
·sjplimp on Feb 16 2012, 18:31.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7804 f3b2605a-c512-4ea7…
f55b74a85f70
·sjplimp on Feb 16 2012, 17:13.

Feb 15 2012

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7793 f3b2605a-c512-4ea7…
0be192774732
·sjplimp on Feb 15 2012, 16:03.

Feb 14 2012

fix bug in Pair::single() method and clean up coulomb energy calculation and…
dc679b390ac0
·Axel Kohlmeyer on Feb 14 2012, 02:43.

Feb 11 2012

fix installation issues with manipulating Makefile.package
75cc4b04cc17
·Axel Kohlmeyer on Feb 11 2012, 21:01.
add suffix support for missing files
c15e56c6b05f
·Axel Kohlmeyer on Feb 11 2012, 20:41.
reworked the identification of thread-aware pair styles. pressure from f dot r…
86a4c5a70443
·Axel Kohlmeyer on Feb 11 2012, 19:26.
bugfix for virial calculation in hybrid pair styles
5b2c91ebf1ac
·Axel Kohlmeyer on Feb 11 2012, 01:20.

Feb 4 2012

multi-threaded meam/spline pair style
580905c81763
·Axel Kohlmeyer on Feb 4 2012, 05:13.
multi-threaded beck pair style
805690bfa98d
·Axel Kohlmeyer on Feb 4 2012, 05:12.
fix race condition in derived neighborlist build
416f52f28e6d
·Axel Kohlmeyer on Feb 4 2012, 05:12.

Feb 3 2012

minor corrections to install scripts. silence compiler warning
78e2b4b61da3
·Axel Kohlmeyer on Feb 3 2012, 15:44.

Feb 2 2012

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7673 f3b2605a-c512-4ea7…
c3bd519b7860
·sjplimp on Feb 2 2012, 17:36.
Merge branch 'master' into lammps-icms
6214cf294416
·Axel Kohlmeyer on Feb 2 2012, 15:13.

Feb 1 2012

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7647 f3b2605a-c512-4ea7…
f884a7ec8574
·sjplimp on Feb 1 2012, 17:27.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7644 f3b2605a-c512-4ea7…
2c42373bc8d0
·sjplimp on Feb 1 2012, 17:07.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7641 f3b2605a-c512-4ea7…
0b2c652aa97d
·sjplimp on Feb 1 2012, 16:46.
clean up looping constructs to remove useless tests.
31581265e3aa
·Axel Kohlmeyer on Feb 1 2012, 02:01.
implement thread safe error checking.
ed6937789dd9
·Axel Kohlmeyer on Feb 1 2012, 01:39.

Jan 31 2012

add USER-CUDA compatibility
27760c3a4276
·Axel Kohlmeyer on Jan 31 2012, 00:40.
use a namespace with static const to propagate fix flags safely.
4df037aa3b0b
·Axel Kohlmeyer on Jan 31 2012, 00:15.

Jan 28 2012

make check for interaction list overflow tersoff/table/omp thread safe
b9591bc8db64
·Axel Kohlmeyer on Jan 28 2012, 04:02.

Jan 27 2012

fix compile error
4038fac58a92
·Axel Kohlmeyer on Jan 27 2012, 23:30.
insert a test for too many local neighbors.
0eae9dd92762
·Axel Kohlmeyer on Jan 27 2012, 23:21.

Jan 26 2012

proper resize of nmax based arrays.
5f7e3909e7b8
·Axel Kohlmeyer on Jan 26 2012, 05:54.
merge in updated COMB potential from Tzu-Ray Shan
0fd19d9f0d9a
·Axel Kohlmeyer on Jan 26 2012, 01:04.

Jan 10 2012

multi-threaded versions of soon to come styles
466427799a16
·Axel Kohlmeyer on Jan 10 2012, 22:47.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7523 f3b2605a-c512-4ea7…
4522aea17e08
·sjplimp on Jan 10 2012, 21:21.
add lj/smooth/linear/omp, bugfix for serial version
f903234a46d3
·Axel Kohlmeyer on Jan 10 2012, 15:25.
sync comb/omp with changes in plain comb
456215e99718
·Axel Kohlmeyer on Jan 10 2012, 15:03.

Jan 9 2012

more neighbor list building changes
b4698a5a178d
·Axel Kohlmeyer on Jan 9 2012, 18:39.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7466 f3b2605a-c512-4ea7…
9e4fd659e9d6
·sjplimp on Jan 9 2012, 16:22.
update neighborlist code according to upstream.
c6195ddc07bd
·Axel Kohlmeyer on Jan 9 2012, 00:58.

Jan 6 2012

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7437 f3b2605a-c512-4ea7…
a10a77764004
·sjplimp on Jan 6 2012, 18:49.

Jan 3 2012

we need to check for nvals, not nall.
b7110fa2a6c9
·Axel Kohlmeyer on Jan 3 2012, 16:16.

Jan 2 2012

handle the case of more threads than atoms.
82cf5261f976
·Axel Kohlmeyer on Jan 2 2012, 02:19.
don't do double barriers
27e2bba2aa4b
·Axel Kohlmeyer on Jan 2 2012, 00:51.
handle reduction for when nthreads > nall
8b850d568082
·Axel Kohlmeyer on Jan 2 2012, 00:50.

Dec 28 2011

add multi-threaded version of pppm/cg
28b32af3a4df
·Axel Kohlmeyer on Dec 28 2011, 22:12.

lammps/src/USER-OMPefficient_neuronet

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lammps/src/USER-OMP
efficient_neuronet