lammps/exampleslammm-master
lammps/examples
lammm-master
History Graph
History Graph
Commit | Author | Details | Committed | |||
---|---|---|---|---|---|---|
b956107fc6f1 | Axel Kohlmeyer | Merge branch 'master' into lammps-icms | Oct 3 2010 | |||
e915461c5fda | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4934 f3b2605a-c512-4ea7… | Oct 1 2010 | |||
a71eb75caaba | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4920 f3b2605a-c512-4ea7… | Oct 1 2010 | |||
0d0fd0afac96 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4913 f3b2605a-c512-4ea7… | Sep 30 2010 | |||
5a5b74f63150 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4903 f3b2605a-c512-4ea7… | Sep 30 2010 | |||
ad960dcd5b31 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4807 f3b2605a-c512-4ea7… | Sep 16 2010 | |||
d256c3afd4bb | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4806 f3b2605a-c512-4ea7… | Sep 16 2010 | |||
e9f7f4813a5d | Axel Kohlmeyer | Merge branch 'master' into lammps-icms | Sep 7 2010 | |||
7571a9ff26d7 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4718 f3b2605a-c512-4ea7… | Sep 6 2010 | |||
0d3cb6da6bd2 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4713 f3b2605a-c512-4ea7… | Sep 6 2010 | |||
035689173055 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4712 f3b2605a-c512-4ea7… | Sep 6 2010 | |||
64f14417e758 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4711 f3b2605a-c512-4ea7… | Sep 6 2010 | |||
8b16e051155c | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4707 f3b2605a-c512-4ea7… | Sep 6 2010 | |||
11933ef8fb0c | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4706 f3b2605a-c512-4ea7… | Sep 6 2010 | |||
840bc6dc4729 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4705 f3b2605a-c512-4ea7… | Sep 6 2010 | |||
f3be54c591af | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4704 f3b2605a-c512-4ea7… | Sep 6 2010 | |||
a133ae5a4a08 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4703 f3b2605a-c512-4ea7… | Sep 6 2010 | |||
95253db03457 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4701 f3b2605a-c512-4ea7… | Sep 6 2010 | |||
6783286a7c8b | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4700 f3b2605a-c512-4ea7… | Sep 6 2010 | |||
3366339dc703 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4699 f3b2605a-c512-4ea7… | Sep 6 2010 | |||
7782572d6ede | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4698 f3b2605a-c512-4ea7… | Sep 6 2010 | |||
df623ad1df83 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4696 f3b2605a-c512-4ea7… | Sep 6 2010 | |||
8279ef5170c2 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4695 f3b2605a-c512-4ea7… | Sep 6 2010 | |||
6fd6931b7fde | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4694 f3b2605a-c512-4ea7… | Sep 6 2010 | |||
3e07cbab43d9 | Axel Kohlmeyer | Merge branch 'master' into lammps-icms | Sep 3 2010 | |||
2b332de13643 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4671 f3b2605a-c512-4ea7… | Sep 3 2010 | |||
ef3307c36988 | Axel Kohlmeyer | Merge branch 'master' into lammps-icms | Sep 2 2010 | |||
6ce7d46695c7 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4648 f3b2605a-c512-4ea7… | Sep 1 2010 | |||
7d832b4db101 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4647 f3b2605a-c512-4ea7… | Sep 1 2010 | |||
39aea46e4c58 | Axel Kohlmeyer | Merge branch 'master' into lammps-icms | Sep 1 2010 | |||
9f3153d089c1 | Axel Kohlmeyer | add SWCNT plus buckyball demo for fix imd. | Sep 1 2010 | |||
de6f8589f443 | Axel Kohlmeyer | update imd examples for new coordinate filtering | Sep 1 2010 | |||
cc0cf31696ba | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4640 f3b2605a-c512-4ea7… | Sep 1 2010 | |||
4cb99b91e2e7 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4639 f3b2605a-c512-4ea7… | Sep 1 2010 | |||
8d906fc56660 | Axel Kohlmeyer | Merge branch 'master' into lammps-icms | Aug 31 2010 | |||
2411d53ffe34 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4629 f3b2605a-c512-4ea7… | Aug 30 2010 | |||
42c067817726 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4628 f3b2605a-c512-4ea7… | Aug 30 2010 | |||
009e6201de6a | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4627 f3b2605a-c512-4ea7… | Aug 30 2010 | |||
b019664c867e | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4626 f3b2605a-c512-4ea7… | Aug 30 2010 | |||
73e63afa5bb8 | Axel Kohlmeyer | Merge branch 'master' into lammps-icms | Aug 28 2010 | |||
74dc0a552bd2 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4604 f3b2605a-c512-4ea7… | Aug 27 2010 | |||
ae926d0adea3 | Axel Kohlmeyer | Merge branch 'master' into lammps-icms | Aug 21 2010 | |||
7c200a5fde06 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4550 f3b2605a-c512-4ea7… | Aug 20 2010 | |||
d80c13054b7b | Axel Kohlmeyer | Merge branch 'master' into lammps-icms | Aug 20 2010 | |||
b59bf9bac558 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4536 f3b2605a-c512-4ea7… | Aug 20 2010 | |||
a5e119a1676a | Axel Kohlmeyer | fix final glitch in tip4p specific ev_tally call | Jul 22 2010 | |||
d3e8436b540b | Axel Kohlmeyer | add test input for tip4p water. | Jul 22 2010 | |||
dfb10b93110d | Axel Kohlmeyer | adapt pair style soft/omp to mainline changes. | Jun 20 2010 | |||
ef413c4f5b71 | Axel Kohlmeyer | Merge branch 'master-small-fixes' into lammps-icms | Jun 19 2010 | |||
aadd0209bf88 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4299 f3b2605a-c512-4ea7… | Jun 18 2010 | |||
6ac84125bf28 | Axel Kohlmeyer | Merge branch 'master' into lammps-icms | Jun 17 2010 | |||
c606246a5c71 | athomps | Added FixMSST in package shock | Jun 16 2010 | |||
446838bbc1fc | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4269 f3b2605a-c512-4ea7… | Jun 16 2010 | |||
805af3084403 | Axel Kohlmeyer | add example/test input for granular pair styles. | Jun 6 2010 | |||
a4171a07fe7b | Axel Kohlmeyer | added example input for colloid pair style. OpenMP seems to be broken | Jun 6 2010 | |||
f0bb0f783db8 | Axel Kohlmeyer | demo/test examples for OpenMP variants of asphere | Jun 6 2010 | |||
c35ea32df39c | Axel Kohlmeyer | add a bunch more examples for tests and benchmarks. | Jun 6 2010 | |||
2d69156a85b6 | Axel Kohlmeyer | adjust inputs for new fix wall/reflect syntax | Jun 4 2010 | |||
70e05cef8eaa | Axel Kohlmeyer | Merge branch 'master' into lammps-icms | Jun 4 2010 | |||
fa9f5cf98bc6 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4239 f3b2605a-c512-4ea7… | Jun 4 2010 | |||
b1e171fb5dd5 | Axel Kohlmeyer | add test and benchmark input for opls/omp | Jun 4 2010 | |||
077e25627011 | Axel Kohlmeyer | add input example for dpd/tstat/omp | Jun 3 2010 | |||
0c89650a4e50 | Axel Kohlmeyer | new and much smaller tests for dpd and soft. | Jun 3 2010 | |||
8d36344d0ae3 | Axel Kohlmeyer | input example for OpenMP ewald. | Jun 2 2010 | |||
0b62f0bf8572 | Axel Kohlmeyer | add omp version for ewald (not yet threaded). | Jun 2 2010 | |||
b844ff3a7bee | Axel Kohlmeyer | add "real world" example system for soft and dpd | Jun 2 2010 | |||
169d93ef1f8c | Axel Kohlmeyer | add test for tersoff/zbl | Jun 1 2010 | |||
ec523ee3ef3b | Axel Kohlmeyer | added OpenMP versions of tersoff and tersoff/zbl | May 31 2010 | |||
1265471af5dd | Axel Kohlmeyer | updat CG-CMM inputs, add new input for OpenMP. | May 31 2010 | |||
96b6ca6bb227 | Axel Kohlmeyer | added test example input for AIREBO. | May 28 2010 | |||
581135acccfd | Axel Kohlmeyer | added test example for stillinger-weber potential. | May 28 2010 | |||
89e1ab870e75 | Axel Kohlmeyer | potential table file for tabulated potential test. | May 27 2010 | |||
f28b103beec3 | Axel Kohlmeyer | improved & expanded test for tabulated potentials | May 27 2010 | |||
aca71b7dbd05 | Axel Kohlmeyer | add test input for tabulated potentials. | May 26 2010 | |||
23c4f8738d66 | Axel Kohlmeyer | add input example for ewald/cg. | May 26 2010 | |||
5b69d29c78d2 | Axel Kohlmeyer | use more /omp styles in test examples. | May 26 2010 | |||
fb88ac682f52 | Axel Kohlmeyer | update gauss/cut log files with up-to-date compile. | May 26 2010 | |||
d2066481d604 | Axel Kohlmeyer | remove replicate command from example. | May 26 2010 | |||
9d75229242d3 | Axel Kohlmeyer | add one more gauss-diel example | May 25 2010 | |||
dc5aec4a1cac | Axel Kohlmeyer | added OpenMP version of the gauss potential. | May 25 2010 | |||
3c692add7479 | Axel Kohlmeyer | additional in/output set optimized for more speed | May 23 2010 | |||
accf90afb6e2 | Axel Kohlmeyer | add example for gauss/diel pair style. | May 22 2010 | |||
24588aa6e32a | Axel Kohlmeyer | Merge branch 'master' into lammps-icms | May 15 2010 | |||
cca0a504ae56 | athomps | Added charge values to dump output. | May 14 2010 | |||
4fdcc90c607b | Axel Kohlmeyer | Merge branch 'master' into lammps-icms | May 13 2010 | |||
f9decb8290bc | athomps | elastic constants example | May 12 2010 | |||
c36b939135cf | Axel Kohlmeyer | Merge branch 'thread-support' into lammps-icms | May 8 2010 | |||
7071a331528f | Axel Kohlmeyer | add example input for OpenMP enable CHARMM pair style. | May 6 2010 | |||
ae6110048ffa | Axel Kohlmeyer | Merge branch 'imd-improvements' into lammps-icms | Apr 29 2010 | |||
be85e64b51ed | Axel Kohlmeyer | ignore default log files. | Apr 29 2010 | |||
cf2de48a09e0 | Axel Kohlmeyer | correct example input files so that they work with the new fix npt scheme in… | Apr 29 2010 | |||
6f67582c9c59 | Axel Kohlmeyer | a few more input variants to test. | Apr 29 2010 | |||
c4b487a9feba | Axel Kohlmeyer | increased problem set size in melt demo. rebuild log files. | Apr 29 2010 | |||
0409125c4690 | Axel Kohlmeyer | added log file from successful runs on regular and threaded style input input… | Apr 29 2010 | |||
e7cf9761fb0d | Axel Kohlmeyer | added a version of the lj/cut pair style that is derived from PairOMP instead… | Apr 28 2010 | |||
ffb6bd72712a | athomps | Update fix nvt examples | Apr 10 2010 | |||
6767d117e2f2 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3964 f3b2605a-c512-4ea7… | Apr 7 2010 | |||
9921249796c1 | athomps | Final changes to fix_box_relax and fix_nh | Apr 7 2010 | |||
e152796332f1 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3955 f3b2605a-c512-4ea7… | Apr 2 2010 | |||
b285c1172680 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3952 f3b2605a-c512-4ea7… | Apr 2 2010 |
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