Diffusion lammps (runner) History

USER
runneraa9c30ae9956be4cedfed6f…

Mar 6 2012

added colvars test example
3a98d5829ef7
·Axel Kohlmeyer on Mar 6 2012, 03:52.

Jan 7 2012

documentation updates
4f1bc1a2da1c
·Axel Kohlmeyer on Jan 7 2012, 18:01.

Jan 6 2012

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7432 f3b2605a-c512-4ea7…
0af770b923af
·sjplimp on Jan 6 2012, 18:34.

Jan 5 2012

update and remove crud.
479db2297898
·Axel Kohlmeyer on Jan 5 2012, 20:41.

Jan 1 2012

Merge branch 'master' into lammps-icms
9259ae869929
·Axel Kohlmeyer on Jan 1 2012, 01:07.

Dec 1 2011

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7256 f3b2605a-c512-4ea7…
70a85bddfd2d
·sjplimp on Dec 1 2011, 15:58.

Aug 27 2011

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6836 f3b2605a-c512-4ea7…
91f494025059
·sjplimp on Aug 27 2011, 22:08.

Aug 8 2011

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6616 f3b2605a-c512-4ea7…
a2ea5509ff14
·sjplimp on Aug 8 2011, 21:01.

Jun 14 2011

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6379 f3b2605a-c512-4ea7…
c7e91e5418fb
·sjplimp on Jun 14 2011, 00:31.

Jun 1 2011

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6272 f3b2605a-c512-4ea7…
63953173fd99
·sjplimp on Jun 1 2011, 02:01.

Feb 23 2011

Merge branch 'master' into lammps-icms
eac710420df6
·Axel Kohlmeyer on Feb 23 2011, 16:58.

Feb 22 2011

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5715 f3b2605a-c512-4ea7…
1d4a6440d108
·sjplimp on Feb 22 2011, 23:35.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5714 f3b2605a-c512-4ea7…
f50885fd4625
·sjplimp on Feb 22 2011, 23:34.

Sep 2 2010

Merge branch 'master' into lammps-icms
ef3307c36988
·Axel Kohlmeyer on Sep 2 2010, 15:36.

Sep 1 2010

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4648 f3b2605a-c512-4ea7…
6ce7d46695c7
·sjplimp on Sep 1 2010, 20:55.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4647 f3b2605a-c512-4ea7…
7d832b4db101
·sjplimp on Sep 1 2010, 20:54.
add SWCNT plus buckyball demo for fix imd.
9f3153d089c1
·Axel Kohlmeyer on Sep 1 2010, 03:36.
update imd examples for new coordinate filtering
de6f8589f443
·Axel Kohlmeyer on Sep 1 2010, 03:33.

Aug 21 2010

Merge branch 'master' into lammps-icms
ae926d0adea3
·Axel Kohlmeyer on Aug 21 2010, 21:13.

Aug 20 2010

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4550 f3b2605a-c512-4ea7…
7c200a5fde06
·sjplimp on Aug 20 2010, 22:48.

Jul 22 2010

fix final glitch in tip4p specific ev_tally call
a5e119a1676a
·Axel Kohlmeyer on Jul 22 2010, 16:28.
add test input for tip4p water.
d3e8436b540b
·Axel Kohlmeyer on Jul 22 2010, 16:12.

Jun 20 2010

adapt pair style soft/omp to mainline changes.
dfb10b93110d
·Axel Kohlmeyer on Jun 20 2010, 23:52.

Jun 6 2010

add example/test input for granular pair styles.
805af3084403
·Axel Kohlmeyer on Jun 6 2010, 22:45.
added example input for colloid pair style. OpenMP seems to be broken
a4171a07fe7b
·Axel Kohlmeyer on Jun 6 2010, 03:53.
demo/test examples for OpenMP variants of asphere
f0bb0f783db8
·Axel Kohlmeyer on Jun 6 2010, 01:32.
add a bunch more examples for tests and benchmarks.
c35ea32df39c
·Axel Kohlmeyer on Jun 6 2010, 00:48.

Jun 4 2010

adjust inputs for new fix wall/reflect syntax
2d69156a85b6
·Axel Kohlmeyer on Jun 4 2010, 16:52.
add test and benchmark input for opls/omp
b1e171fb5dd5
·Axel Kohlmeyer on Jun 4 2010, 01:10.

Jun 3 2010

add input example for dpd/tstat/omp
077e25627011
·Axel Kohlmeyer on Jun 3 2010, 00:45.
new and much smaller tests for dpd and soft.
0c89650a4e50
·Axel Kohlmeyer on Jun 3 2010, 00:14.

Jun 2 2010

input example for OpenMP ewald.
8d36344d0ae3
·Axel Kohlmeyer on Jun 2 2010, 20:54.
add omp version for ewald (not yet threaded).
0b62f0bf8572
·Axel Kohlmeyer on Jun 2 2010, 20:22.
add "real world" example system for soft and dpd
b844ff3a7bee
·Axel Kohlmeyer on Jun 2 2010, 02:51.

Jun 1 2010

add test for tersoff/zbl
169d93ef1f8c
·Axel Kohlmeyer on Jun 1 2010, 00:50.

May 31 2010

added OpenMP versions of tersoff and tersoff/zbl
ec523ee3ef3b
·Axel Kohlmeyer on May 31 2010, 23:40.
updat CG-CMM inputs, add new input for OpenMP.
1265471af5dd
·Axel Kohlmeyer on May 31 2010, 22:10.

May 28 2010

added test example input for AIREBO.
96b6ca6bb227
·Axel Kohlmeyer on May 28 2010, 19:43.
added test example for stillinger-weber potential.
581135acccfd
·Axel Kohlmeyer on May 28 2010, 17:17.

May 27 2010

potential table file for tabulated potential test.
89e1ab870e75
·Axel Kohlmeyer on May 27 2010, 20:50.
improved & expanded test for tabulated potentials
f28b103beec3
·Axel Kohlmeyer on May 27 2010, 20:48.

May 26 2010

add test input for tabulated potentials.
aca71b7dbd05
·Axel Kohlmeyer on May 26 2010, 23:11.
add input example for ewald/cg.
23c4f8738d66
·Axel Kohlmeyer on May 26 2010, 18:31.
use more /omp styles in test examples.
5b69d29c78d2
·Axel Kohlmeyer on May 26 2010, 01:35.
update gauss/cut log files with up-to-date compile.
fb88ac682f52
·Axel Kohlmeyer on May 26 2010, 01:22.
remove replicate command from example.
d2066481d604
·Axel Kohlmeyer on May 26 2010, 01:11.

May 25 2010

add one more gauss-diel example
9d75229242d3
·Axel Kohlmeyer on May 25 2010, 21:08.
added OpenMP version of the gauss potential.
dc5aec4a1cac
·Axel Kohlmeyer on May 25 2010, 20:14.

May 23 2010

additional in/output set optimized for more speed
3c692add7479
·Axel Kohlmeyer on May 23 2010, 16:58.

May 22 2010

add example for gauss/diel pair style.
accf90afb6e2
·Axel Kohlmeyer on May 22 2010, 00:55.

May 8 2010

Merge branch 'thread-support' into lammps-icms
c36b939135cf
·Axel Kohlmeyer on May 8 2010, 17:55.

May 6 2010

add example input for OpenMP enable CHARMM pair style.
7071a331528f
·Axel Kohlmeyer on May 6 2010, 05:14.

Apr 29 2010

Merge branch 'imd-improvements' into lammps-icms
ae6110048ffa
·Axel Kohlmeyer on Apr 29 2010, 18:14.
correct example input files so that they work with the new fix npt scheme in…
cf2de48a09e0
·Axel Kohlmeyer on Apr 29 2010, 15:59.
a few more input variants to test.
6f67582c9c59
·Axel Kohlmeyer on Apr 29 2010, 15:46.
increased problem set size in melt demo. rebuild log files.
c4b487a9feba
·Axel Kohlmeyer on Apr 29 2010, 03:36.
added log file from successful runs on regular and threaded style input input…
0409125c4690
·Axel Kohlmeyer on Apr 29 2010, 01:35.

Apr 28 2010

added a version of the lj/cut pair style that is derived from PairOMP instead…
e7cf9761fb0d
·Axel Kohlmeyer on Apr 28 2010, 23:51.

Nov 6 2009

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3321 f3b2605a-c512-4ea7…
fb584674c94c
·sjplimp on Nov 6 2009, 16:39.

Sep 24 2009

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3169 f3b2605a-c512-4ea7…
651d00d18c6b
·sjplimp on Sep 24 2009, 18:32.

Feb 8 2008

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1482 f3b2605a-c512-4ea7…
0d0871b646c7
·sjplimp on Feb 8 2008, 22:17.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1481 f3b2605a-c512-4ea7…
5683091bfb4c
·sjplimp on Feb 8 2008, 22:16.

lammps/examples/USERrunneraa9c30ae9956be4cedfed6f…

Mar 6 2012

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lammps/examples/USER
runneraa9c30ae9956be4cedfed6f…