Diffusion lammps (master) History

History
master9482ac8cfe7561ddfe86938…

Sep 25 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12536 f3b2605a-c512-4ea7…
9482ac8cfe75
·sjplimp on Sep 25 2014, 00:04.

Sep 24 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12535 f3b2605a-c512-4ea7…
53467a25ef19
·sjplimp on Sep 24 2014, 23:43.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12534 f3b2605a-c512-4ea7…
f62127f3739d
·sjplimp on Sep 24 2014, 22:00.
Update minimization documentation to reflect line quadratic default
e1d881b11c54
·athomps on Sep 24 2014, 02:48.
Change fix box/relax example to be more efficient
fb705efa84eb
·athomps on Sep 24 2014, 02:46.
Made line quadratic default and changed backtrack alpha zero check to be more…
463db5858357
·athomps on Sep 24 2014, 02:45.
Update minimization documentation to reflect line quadratic default
edd0d2dea75a
·athomps on Sep 24 2014, 02:43.
Fixing a bug in the kspace error estimator for triclinic systems
f45b388d1246
·stamoor on Sep 24 2014, 00:29.

Sep 23 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12528 f3b2605a-c512-4ea7…
5d12a8fdab22
·sjplimp on Sep 23 2014, 21:09.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12527 f3b2605a-c512-4ea7…
159d82e4730a
·sjplimp on Sep 23 2014, 17:55.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12526 f3b2605a-c512-4ea7…
80c69a6b5654
·sjplimp on Sep 23 2014, 15:39.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12525 f3b2605a-c512-4ea7…
c560bd50cb16
·sjplimp on Sep 23 2014, 01:41.

Sep 22 2014

Fixing broken USER-INTEL examples
5ae8de8f47aa
·stamoor on Sep 22 2014, 17:39.

Sep 19 2014

Updated diagnostics
45223c452c84
·athomps on Sep 19 2014, 00:44.
Changed comment
7ce215970b4b
·athomps on Sep 19 2014, 00:41.

Sep 18 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12521 f3b2605a-c512-4ea7…
d76a263ca74b
·sjplimp on Sep 18 2014, 17:59.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12520 f3b2605a-c512-4ea7…
dbb4fd7e7582
·sjplimp on Sep 18 2014, 16:39.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12519 f3b2605a-c512-4ea7…
c60348da441b
·sjplimp on Sep 18 2014, 16:39.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12518 f3b2605a-c512-4ea7…
bda37b7c9873
·sjplimp on Sep 18 2014, 16:39.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12516 f3b2605a-c512-4ea7…
c4241ba55c80
·sjplimp on Sep 18 2014, 16:25.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12515 f3b2605a-c512-4ea7…
4ce180cbe2a3
·sjplimp on Sep 18 2014, 16:25.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12514 f3b2605a-c512-4ea7…
e56b623e4c49
·sjplimp on Sep 18 2014, 16:25.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12513 f3b2605a-c512-4ea7…
39373a22c3b5
·sjplimp on Sep 18 2014, 16:24.

Sep 17 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12512 f3b2605a-c512-4ea7…
e17948a19545
·sjplimp on Sep 17 2014, 19:23.
Added arXiv link
e015a68c10b6
·athomps on Sep 17 2014, 16:44.

Sep 15 2014

Added info on SNAP package to restrictions
104106e2ecf9
·athomps on Sep 15 2014, 19:09.

Sep 13 2014

Added LAMMPS headers
ed9b130d6e40
·athomps on Sep 13 2014, 00:55.

Sep 12 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12508 f3b2605a-c512-4ea7…
d0b6d228c74c
·sjplimp on Sep 12 2014, 23:19.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12507 f3b2605a-c512-4ea7…
16864ce4e3c7
·sjplimp on Sep 12 2014, 19:29.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12506 f3b2605a-c512-4ea7…
4dd1b4fc6534
·sjplimp on Sep 12 2014, 19:28.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12505 f3b2605a-c512-4ea7…
ae27db23fe17
·sjplimp on Sep 12 2014, 16:50.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12504 f3b2605a-c512-4ea7…
89c7a5df328b
·sjplimp on Sep 12 2014, 16:13.

Sep 11 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12503 f3b2605a-c512-4ea7…
40da76395508
·sjplimp on Sep 11 2014, 23:14.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12501 f3b2605a-c512-4ea7…
1c68c2b3c0cd
·sjplimp on Sep 11 2014, 22:44.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12500 f3b2605a-c512-4ea7…
1ddb9ab14852
·sjplimp on Sep 11 2014, 22:44.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12499 f3b2605a-c512-4ea7…
87863d5451c4
·sjplimp on Sep 11 2014, 22:33.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12498 f3b2605a-c512-4ea7…
1aa7f33727e4
·sjplimp on Sep 11 2014, 22:32.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12497 f3b2605a-c512-4ea7…
5910f5103170
·sjplimp on Sep 11 2014, 22:24.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12496 f3b2605a-c512-4ea7…
4a95b0047713
·sjplimp on Sep 11 2014, 18:58.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12495 f3b2605a-c512-4ea7…
df728d6a0950
·sjplimp on Sep 11 2014, 18:58.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12494 f3b2605a-c512-4ea7…
bbc60e3aefaa
·sjplimp on Sep 11 2014, 18:54.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12493 f3b2605a-c512-4ea7…
35642380446d
·sjplimp on Sep 11 2014, 18:54.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12492 f3b2605a-c512-4ea7…
978269a4cedc
·sjplimp on Sep 11 2014, 18:47.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12491 f3b2605a-c512-4ea7…
010542ff0595
·sjplimp on Sep 11 2014, 18:39.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12490 f3b2605a-c512-4ea7…
5b648b760b78
·sjplimp on Sep 11 2014, 18:28.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12489 f3b2605a-c512-4ea7…
f4f1cfe220d3
·sjplimp on Sep 11 2014, 18:25.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12488 f3b2605a-c512-4ea7…
356bcc1f010c
·sjplimp on Sep 11 2014, 18:09.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12487 f3b2605a-c512-4ea7…
6c767f30b143
·sjplimp on Sep 11 2014, 18:05.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12486 f3b2605a-c512-4ea7…
4fea80fecffe
·sjplimp on Sep 11 2014, 18:03.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12485 f3b2605a-c512-4ea7…
705237ae9eea
·sjplimp on Sep 11 2014, 18:00.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12484 f3b2605a-c512-4ea7…
17a7fb2c98a2
·sjplimp on Sep 11 2014, 17:49.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12483 f3b2605a-c512-4ea7…
fb2b228ac987
·sjplimp on Sep 11 2014, 17:43.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12482 f3b2605a-c512-4ea7…
05a63d764e22
·sjplimp on Sep 11 2014, 17:34.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12481 f3b2605a-c512-4ea7…
853f7be70012
·sjplimp on Sep 11 2014, 16:52.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12480 f3b2605a-c512-4ea7…
90d0ffba1dd2
·sjplimp on Sep 11 2014, 00:46.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12479 f3b2605a-c512-4ea7…
7f8da4e667ec
·sjplimp on Sep 11 2014, 00:16.

Sep 10 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12478 f3b2605a-c512-4ea7…
5c05d14e2133
·sjplimp on Sep 10 2014, 23:44.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12477 f3b2605a-c512-4ea7…
502ef1f93143
·sjplimp on Sep 10 2014, 23:06.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12476 f3b2605a-c512-4ea7…
b73b7a82533c
·sjplimp on Sep 10 2014, 23:05.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12475 f3b2605a-c512-4ea7…
a266d1b3d05e
·sjplimp on Sep 10 2014, 21:58.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12474 f3b2605a-c512-4ea7…
58a11d6bc2eb
·sjplimp on Sep 10 2014, 21:39.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12473 f3b2605a-c512-4ea7…
ea0824620568
·sjplimp on Sep 10 2014, 19:48.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12472 f3b2605a-c512-4ea7…
f4421a1cb1b8
·sjplimp on Sep 10 2014, 19:41.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12471 f3b2605a-c512-4ea7…
0eb045dc6a13
·sjplimp on Sep 10 2014, 19:30.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12470 f3b2605a-c512-4ea7…
fbad8a44c845
·sjplimp on Sep 10 2014, 19:30.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12469 f3b2605a-c512-4ea7…
8a80ed461256
·sjplimp on Sep 10 2014, 19:12.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12468 f3b2605a-c512-4ea7…
7728d4ecea7a
·sjplimp on Sep 10 2014, 18:40.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12467 f3b2605a-c512-4ea7…
2424201d960f
·sjplimp on Sep 10 2014, 18:30.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12466 f3b2605a-c512-4ea7…
9d11e531e75d
·sjplimp on Sep 10 2014, 18:25.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12465 f3b2605a-c512-4ea7…
1025e266b12a
·sjplimp on Sep 10 2014, 17:47.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12464 f3b2605a-c512-4ea7…
e8780fc49d81
·sjplimp on Sep 10 2014, 17:32.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12463 f3b2605a-c512-4ea7…
f864979cdd9b
·sjplimp on Sep 10 2014, 00:52.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12462 f3b2605a-c512-4ea7…
3aaa82088bcd
·sjplimp on Sep 10 2014, 00:51.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12461 f3b2605a-c512-4ea7…
4d9d81fe69ab
·sjplimp on Sep 10 2014, 00:50.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12460 f3b2605a-c512-4ea7…
ca8fd22c19e7
·sjplimp on Sep 10 2014, 00:36.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12459 f3b2605a-c512-4ea7…
f9684d5076fc
·sjplimp on Sep 10 2014, 00:33.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12458 f3b2605a-c512-4ea7…
4374200a779e
·sjplimp on Sep 10 2014, 00:30.

Sep 9 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12457 f3b2605a-c512-4ea7…
b57945c40e38
·sjplimp on Sep 9 2014, 23:15.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12456 f3b2605a-c512-4ea7…
3f532868367c
·sjplimp on Sep 9 2014, 23:14.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12455 f3b2605a-c512-4ea7…
b843c808a503
·sjplimp on Sep 9 2014, 21:23.
Changed optimized default to 1
4f3c884aaac3
·athomps on Sep 9 2014, 19:12.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12453 f3b2605a-c512-4ea7…
787b9fc6f854
·sjplimp on Sep 9 2014, 19:07.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12452 f3b2605a-c512-4ea7…
334f57f7f3ea
·sjplimp on Sep 9 2014, 18:37.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12451 f3b2605a-c512-4ea7…
3a18e667d459
·sjplimp on Sep 9 2014, 18:05.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12450 f3b2605a-c512-4ea7…
95d3f975f591
·sjplimp on Sep 9 2014, 17:17.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12449 f3b2605a-c512-4ea7…
ac246386d0dd
·sjplimp on Sep 9 2014, 17:01.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12448 f3b2605a-c512-4ea7…
e898a2c91b33
·sjplimp on Sep 9 2014, 16:20.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12447 f3b2605a-c512-4ea7…
c9c83405ab90
·sjplimp on Sep 9 2014, 15:59.

Sep 8 2014

Added Axel's changes to the OMP parts
1a4c75e8e57b
·athomps on Sep 8 2014, 20:25.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12444 f3b2605a-c512-4ea7…
ddb099310314
·sjplimp on Sep 8 2014, 18:53.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12443 f3b2605a-c512-4ea7…
96732223f85f
·sjplimp on Sep 8 2014, 18:53.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12442 f3b2605a-c512-4ea7…
17430afebe95
·sjplimp on Sep 8 2014, 18:49.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12441 f3b2605a-c512-4ea7…
b2b618a17b6a
·sjplimp on Sep 8 2014, 18:46.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12440 f3b2605a-c512-4ea7…
99bf546eb0a4
·sjplimp on Sep 8 2014, 18:10.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12439 f3b2605a-c512-4ea7…
1b19868c9760
·sjplimp on Sep 8 2014, 18:10.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12438 f3b2605a-c512-4ea7…
6b14499eb21a
·sjplimp on Sep 8 2014, 17:58.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12437 f3b2605a-c512-4ea7…
bfdd21ffae47
·sjplimp on Sep 8 2014, 17:56.
Add line describing snap
7551af229efe
·athomps on Sep 8 2014, 17:46.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12435 f3b2605a-c512-4ea7…
9cefb572726d
·sjplimp on Sep 8 2014, 17:46.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12434 f3b2605a-c512-4ea7…
a0b94e9053fa
·sjplimp on Sep 8 2014, 17:44.