Diffusion lammps (lammm-master) History

USER-OMP
lammm-masterb0ffa46a3bb994e3fe0c157…

Feb 28 2012

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.

Dec 24 2011

some more optimizations for pppm/omp
3ad7e97ae867
·Axel Kohlmeyer on Dec 24 2011, 22:27.
add multi-thread support to PPPMOMP::setup()
6d290ddf0afd
·Axel Kohlmeyer on Dec 24 2011, 04:13.
add c++ emacs cookies into all SCM managed headers
0f4a27ad8bab
·Axel Kohlmeyer on Dec 24 2011, 00:27.

Dec 20 2011

fix bug reported by mario orsi
9b7fbb59bd14
·Axel Kohlmeyer on Dec 20 2011, 16:34.
add pppm/proxy styles for class2 force field.
d0c092466472
·Axel Kohlmeyer on Dec 20 2011, 02:12.
bugfix for pppm/proxy when using variable cell
00c655547601
·Axel Kohlmeyer on Dec 20 2011, 01:52.

Dec 15 2011

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7370 f3b2605a-c512-4ea7…
ee2ab8eac375
·sjplimp on Dec 15 2011, 18:45.

Dec 14 2011

some bugfixes and cleanups for the last commit
b7d8d13c6236
·Axel Kohlmeyer on Dec 14 2011, 23:48.
OpenMP support for coul/wolf and born/coul/wolf
e84e73266326
·Axel Kohlmeyer on Dec 14 2011, 23:04.
bugfix for bugfix
d2bd36e1ef76
·Axel Kohlmeyer on Dec 14 2011, 03:21.

Dec 12 2011

import tersoff/zbl bugfix from LAMMPS-ICMS
c252853d30cb
·Axel Kohlmeyer on Dec 12 2011, 02:43.

Dec 11 2011

Merge branch 'master' into openmp-master
d7aab37be45e
·Axel Kohlmeyer on Dec 11 2011, 00:45.

Dec 10 2011

added OpenMP versions of some FLD pair styles
092b1c73b243
·Axel Kohlmeyer on Dec 10 2011, 01:49.

Dec 9 2011

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7333 f3b2605a-c512-4ea7…
5baa07d3afe1
·sjplimp on Dec 9 2011, 17:46.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7325 f3b2605a-c512-4ea7…
5fa4f2eb2651
·sjplimp on Dec 9 2011, 00:23.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7323 f3b2605a-c512-4ea7…
650607a38bc0
·sjplimp on Dec 9 2011, 00:18.

Dec 2 2011

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7290 f3b2605a-c512-4ea7…
ab6e3568083a
·sjplimp on Dec 2 2011, 19:25.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7289 f3b2605a-c512-4ea7…
eca63a1b690a
·sjplimp on Dec 2 2011, 19:25.

Dec 1 2011

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7266 f3b2605a-c512-4ea7…
8c372f6c410d
·sjplimp on Dec 1 2011, 18:21.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7265 f3b2605a-c512-4ea7…
57a20c2706ce
·sjplimp on Dec 1 2011, 18:05.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7264 f3b2605a-c512-4ea7…
389584998643
·sjplimp on Dec 1 2011, 18:05.

Oct 26 2011

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7208 f3b2605a-c512-4ea7…
9e2f81e4ed4a
·sjplimp on Oct 26 2011, 19:06.

Oct 20 2011

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7133 f3b2605a-c512-4ea7…
f90ce18f3db4
·sjplimp on Oct 20 2011, 02:11.

Oct 10 2011

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7069 f3b2605a-c512-4ea7…
850a3cf8a4de
·sjplimp on Oct 10 2011, 19:22.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7068 f3b2605a-c512-4ea7…
49573998e714
·sjplimp on Oct 10 2011, 19:15.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7067 f3b2605a-c512-4ea7…
855e2aa3538e
·sjplimp on Oct 10 2011, 19:13.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7066 f3b2605a-c512-4ea7…
90a5d2b322bf
·sjplimp on Oct 10 2011, 19:11.

Aug 25 2011

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6816 f3b2605a-c512-4ea7…
1d743442b34c
·sjplimp on Aug 25 2011, 21:21.

lammps/src/USER-OMPlammm-masterb0ffa46a3bb994e3fe0c157…

Feb 28 2012

Feb 27 2012

Feb 17 2012

Feb 16 2012

Feb 15 2012

Feb 14 2012

Feb 11 2012

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Jan 31 2012

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Jan 27 2012

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Dec 28 2011

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Dec 1 2011

Oct 26 2011

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Oct 10 2011

Aug 25 2011

lammps/src/USER-OMP
lammm-masterb0ffa46a3bb994e3fe0c157…