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Diffusion lammps (master) Graph

lammps/examples
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CommitAuthorDetailsCommitted
ef3307c36988Axel Kohlmeyer
Merge branch 'master' into lammps-icms 
Sep 2 2010
6ce7d46695c7sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4648 f3b2605a-c512-4ea7… 
Sep 1 2010
7d832b4db101sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4647 f3b2605a-c512-4ea7… 
Sep 1 2010
39aea46e4c58Axel Kohlmeyer
Merge branch 'master' into lammps-icms 
Sep 1 2010
9f3153d089c1Axel Kohlmeyer
add SWCNT plus buckyball demo for fix imd. 
Sep 1 2010
de6f8589f443Axel Kohlmeyer
update imd examples for new coordinate filtering 
Sep 1 2010
cc0cf31696basjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4640 f3b2605a-c512-4ea7… 
Sep 1 2010
4cb99b91e2e7sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4639 f3b2605a-c512-4ea7… 
Sep 1 2010
8d906fc56660Axel Kohlmeyer
Merge branch 'master' into lammps-icms 
Aug 31 2010
2411d53ffe34sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4629 f3b2605a-c512-4ea7… 
Aug 30 2010
42c067817726sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4628 f3b2605a-c512-4ea7… 
Aug 30 2010
009e6201de6asjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4627 f3b2605a-c512-4ea7… 
Aug 30 2010
b019664c867esjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4626 f3b2605a-c512-4ea7… 
Aug 30 2010
73e63afa5bb8Axel Kohlmeyer
Merge branch 'master' into lammps-icms 
Aug 28 2010
74dc0a552bd2sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4604 f3b2605a-c512-4ea7… 
Aug 27 2010
ae926d0adea3Axel Kohlmeyer
Merge branch 'master' into lammps-icms 
Aug 21 2010
7c200a5fde06sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4550 f3b2605a-c512-4ea7… 
Aug 20 2010
d80c13054b7bAxel Kohlmeyer
Merge branch 'master' into lammps-icms 
Aug 20 2010
b59bf9bac558sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4536 f3b2605a-c512-4ea7… 
Aug 20 2010
a5e119a1676aAxel Kohlmeyer
fix final glitch in tip4p specific ev_tally call 
Jul 22 2010
d3e8436b540bAxel Kohlmeyer
add test input for tip4p water. 
Jul 22 2010
dfb10b93110dAxel Kohlmeyer
adapt pair style soft/omp to mainline changes. 
Jun 20 2010
ef413c4f5b71Axel Kohlmeyer
Merge branch 'master-small-fixes' into lammps-icms 
Jun 19 2010
aadd0209bf88sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4299 f3b2605a-c512-4ea7… 
Jun 18 2010
6ac84125bf28Axel Kohlmeyer
Merge branch 'master' into lammps-icms 
Jun 17 2010
c606246a5c71athomps
Added FixMSST in package shock 
Jun 16 2010
446838bbc1fcsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4269 f3b2605a-c512-4ea7… 
Jun 16 2010
805af3084403Axel Kohlmeyer
add example/test input for granular pair styles. 
Jun 6 2010
a4171a07fe7bAxel Kohlmeyer
added example input for colloid pair style. OpenMP seems to be broken 
Jun 6 2010
f0bb0f783db8Axel Kohlmeyer
demo/test examples for OpenMP variants of asphere 
Jun 6 2010
c35ea32df39cAxel Kohlmeyer
add a bunch more examples for tests and benchmarks. 
Jun 6 2010
2d69156a85b6Axel Kohlmeyer
adjust inputs for new fix wall/reflect syntax 
Jun 4 2010
70e05cef8eaaAxel Kohlmeyer
Merge branch 'master' into lammps-icms 
Jun 4 2010
fa9f5cf98bc6sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4239 f3b2605a-c512-4ea7… 
Jun 4 2010
b1e171fb5dd5Axel Kohlmeyer
add test and benchmark input for opls/omp 
Jun 4 2010
077e25627011Axel Kohlmeyer
add input example for dpd/tstat/omp 
Jun 3 2010
0c89650a4e50Axel Kohlmeyer
new and much smaller tests for dpd and soft. 
Jun 3 2010
8d36344d0ae3Axel Kohlmeyer
input example for OpenMP ewald. 
Jun 2 2010
0b62f0bf8572Axel Kohlmeyer
add omp version for ewald (not yet threaded). 
Jun 2 2010
b844ff3a7beeAxel Kohlmeyer
add "real world" example system for soft and dpd 
Jun 2 2010
169d93ef1f8cAxel Kohlmeyer
add test for tersoff/zbl 
Jun 1 2010
ec523ee3ef3bAxel Kohlmeyer
added OpenMP versions of tersoff and tersoff/zbl 
May 31 2010
1265471af5ddAxel Kohlmeyer
updat CG-CMM inputs, add new input for OpenMP. 
May 31 2010
96b6ca6bb227Axel Kohlmeyer
added test example input for AIREBO. 
May 28 2010
581135acccfdAxel Kohlmeyer
added test example for stillinger-weber potential. 
May 28 2010
89e1ab870e75Axel Kohlmeyer
potential table file for tabulated potential test. 
May 27 2010
f28b103beec3Axel Kohlmeyer
improved & expanded test for tabulated potentials 
May 27 2010
aca71b7dbd05Axel Kohlmeyer
add test input for tabulated potentials. 
May 26 2010
23c4f8738d66Axel Kohlmeyer
add input example for ewald/cg. 
May 26 2010
5b69d29c78d2Axel Kohlmeyer
use more /omp styles in test examples. 
May 26 2010
fb88ac682f52Axel Kohlmeyer
update gauss/cut log files with up-to-date compile. 
May 26 2010
d2066481d604Axel Kohlmeyer
remove replicate command from example. 
May 26 2010
9d75229242d3Axel Kohlmeyer
add one more gauss-diel example 
May 25 2010
dc5aec4a1cacAxel Kohlmeyer
added OpenMP version of the gauss potential. 
May 25 2010
3c692add7479Axel Kohlmeyer
additional in/output set optimized for more speed 
May 23 2010
accf90afb6e2Axel Kohlmeyer
add example for gauss/diel pair style. 
May 22 2010
24588aa6e32aAxel Kohlmeyer
Merge branch 'master' into lammps-icms 
May 15 2010
cca0a504ae56athomps
Added charge values to dump output. 
May 14 2010
4fdcc90c607bAxel Kohlmeyer
Merge branch 'master' into lammps-icms 
May 13 2010
f9decb8290bcathomps
elastic constants example 
May 12 2010
c36b939135cfAxel Kohlmeyer
Merge branch 'thread-support' into lammps-icms 
May 8 2010
7071a331528fAxel Kohlmeyer
add example input for OpenMP enable CHARMM pair style. 
May 6 2010
ae6110048ffaAxel Kohlmeyer
Merge branch 'imd-improvements' into lammps-icms 
Apr 29 2010
be85e64b51edAxel Kohlmeyer
ignore default log files. 
Apr 29 2010
cf2de48a09e0Axel Kohlmeyer
correct example input files so that they work with the new fix npt scheme in… 
Apr 29 2010
6f67582c9c59Axel Kohlmeyer
a few more input variants to test. 
Apr 29 2010
c4b487a9febaAxel Kohlmeyer
increased problem set size in melt demo. rebuild log files. 
Apr 29 2010
0409125c4690Axel Kohlmeyer
added log file from successful runs on regular and threaded style input input… 
Apr 29 2010
e7cf9761fb0dAxel Kohlmeyer
added a version of the lj/cut pair style that is derived from PairOMP instead… 
Apr 28 2010
ffb6bd72712aathomps
Update fix nvt examples 
Apr 10 2010
6767d117e2f2sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3964 f3b2605a-c512-4ea7… 
Apr 7 2010
9921249796c1athomps
Final changes to fix_box_relax and fix_nh 
Apr 7 2010
e152796332f1sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3955 f3b2605a-c512-4ea7… 
Apr 2 2010
b285c1172680sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3952 f3b2605a-c512-4ea7… 
Apr 2 2010
e00095d3351fsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3871 f3b2605a-c512-4ea7… 
Mar 3 2010
6534fc54525dathomps
Remove Strachan reference in header 
Feb 19 2010
5ce854b78056athomps
Updated prd documentation 
Feb 4 2010
6e8ccfb7f9f7sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3692 f3b2605a-c512-4ea7… 
Jan 15 2010
2e5168081538sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3691 f3b2605a-c512-4ea7… 
Jan 15 2010
8626f1cee6b6sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3688 f3b2605a-c512-4ea7… 
Jan 14 2010
fb584674c94csjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3321 f3b2605a-c512-4ea7… 
Nov 6 2009
a2a7fd006c00sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3260 f3b2605a-c512-4ea7… 
Oct 30 2009
d735ac6009fasjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3254 f3b2605a-c512-4ea7… 
Oct 29 2009
9ac18940902bsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3252 f3b2605a-c512-4ea7… 
Oct 29 2009
651d00d18c6bsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3169 f3b2605a-c512-4ea7… 
Sep 24 2009
59905ad99aefsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2975 f3b2605a-c512-4ea7… 
Jul 3 2009
f4cc5550f7e2sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2966 f3b2605a-c512-4ea7… 
Jul 2 2009
0af34f0968d3sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2963 f3b2605a-c512-4ea7… 
Jul 2 2009
676959e91080sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2962 f3b2605a-c512-4ea7… 
Jul 2 2009
4b5e3907754aathomps
Removed Si from ffield.reax 
Jun 9 2009
1293b2945368athomps
Added Strachan reference. 
Jun 1 2009
06396c8958e5sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2821 f3b2605a-c512-4ea7… 
May 19 2009
883b5ae3a7b6athomps
Added fix write/reax/bonds and reordered TATB atoms 
Apr 30 2009
4345f327b5e2sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2751 f3b2605a-c512-4ea7… 
Apr 13 2009
aef5044d66c5sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2583 f3b2605a-c512-4ea7… 
Feb 12 2009
c8632d65c63bsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2366 f3b2605a-c512-4ea7… 
Jan 9 2009
8f6991985a68sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2355 f3b2605a-c512-4ea7… 
Jan 9 2009
6579712aa8b0sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2336 f3b2605a-c512-4ea7… 
Jan 6 2009
41378c5f2526sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2020 f3b2605a-c512-4ea7… 
Aug 1 2008
314b2f43d9f7sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1970 f3b2605a-c512-4ea7… 
Jul 25 2008
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