Diffusion lammps (master) History

lammps/src
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.
Made line quadratic default and changed backtrack alpha zero check to be more…
463db5858357
·athomps on Sep 24 2014, 02:45.
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@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 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@12518 f3b2605a-c512-4ea7…
bda37b7c9873
·sjplimp on Sep 18 2014, 16:39.
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@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.

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@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.

Sep 11 2014

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@12483 f3b2605a-c512-4ea7…
fb2b228ac987
·sjplimp on Sep 11 2014, 17:43.
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@12474 f3b2605a-c512-4ea7…
58a11d6bc2eb
·sjplimp on Sep 10 2014, 21:39.
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@12463 f3b2605a-c512-4ea7…
f864979cdd9b
·sjplimp on Sep 10 2014, 00:52.
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@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@12452 f3b2605a-c512-4ea7…
334f57f7f3ea
·sjplimp on Sep 9 2014, 18:37.
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@12443 f3b2605a-c512-4ea7…
96732223f85f
·sjplimp on Sep 8 2014, 18:53.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12434 f3b2605a-c512-4ea7…
a0b94e9053fa
·sjplimp on Sep 8 2014, 17:44.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12433 f3b2605a-c512-4ea7…
bcb5c5a6e515
·sjplimp on Sep 8 2014, 17:40.

Sep 6 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12429 f3b2605a-c512-4ea7…
d4e1503e81fb
·sjplimp on Sep 6 2014, 01:39.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12425 f3b2605a-c512-4ea7…
af21769abebf
·sjplimp on Sep 6 2014, 01:16.

Sep 5 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12417 f3b2605a-c512-4ea7…
f29fa0abfb99
·sjplimp on Sep 5 2014, 23:40.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12416 f3b2605a-c512-4ea7…
f05bbe48ae12
·sjplimp on Sep 5 2014, 22:31.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12413 f3b2605a-c512-4ea7…
ed06a4859ee3
·sjplimp on Sep 5 2014, 17:31.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12412 f3b2605a-c512-4ea7…
2a24e947f5d1
·sjplimp on Sep 5 2014, 17:30.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12411 f3b2605a-c512-4ea7…
1fc5efe31e17
·sjplimp on Sep 5 2014, 17:27.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12410 f3b2605a-c512-4ea7…
4a95e6911174
·sjplimp on Sep 5 2014, 17:27.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12409 f3b2605a-c512-4ea7…
31509b75280e
·sjplimp on Sep 5 2014, 17:06.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12406 f3b2605a-c512-4ea7…
777e82995de2
·sjplimp on Sep 5 2014, 16:42.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12405 f3b2605a-c512-4ea7…
f6c0d4fec3e9
·sjplimp on Sep 5 2014, 16:39.

Aug 29 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12383 f3b2605a-c512-4ea7…
d01c12f754ee
·sjplimp on Aug 29 2014, 21:27.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12382 f3b2605a-c512-4ea7…
5a518e74da82
·sjplimp on Aug 29 2014, 20:32.

Aug 27 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12376 f3b2605a-c512-4ea7…
ead27110500e
·sjplimp on Aug 27 2014, 23:21.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12373 f3b2605a-c512-4ea7…
dc5ad107ada0
·sjplimp on Aug 27 2014, 19:44.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12368 f3b2605a-c512-4ea7…
71f5c17f676f
·sjplimp on Aug 27 2014, 18:25.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12365 f3b2605a-c512-4ea7…
d9f92faf40f2
·sjplimp on Aug 27 2014, 18:17.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12364 f3b2605a-c512-4ea7…
d1e51c4359b3
·sjplimp on Aug 27 2014, 18:16.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12359 f3b2605a-c512-4ea7…
6661ee718f31
·sjplimp on Aug 27 2014, 17:51.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12358 f3b2605a-c512-4ea7…
9b5124c54e3a
·sjplimp on Aug 27 2014, 17:23.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12355 f3b2605a-c512-4ea7…
d44d13505f09
·sjplimp on Aug 27 2014, 17:01.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12353 f3b2605a-c512-4ea7…
bd0eaad6eca1
·sjplimp on Aug 27 2014, 17:00.

Aug 25 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12350 f3b2605a-c512-4ea7…
b74fcc80ac13
·sjplimp on Aug 25 2014, 18:49.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12349 f3b2605a-c512-4ea7…
80b02160f1eb
·sjplimp on Aug 25 2014, 18:47.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12348 f3b2605a-c512-4ea7…
4ea728dc8007
·sjplimp on Aug 25 2014, 18:01.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12345 f3b2605a-c512-4ea7…
6809f93138d3
·sjplimp on Aug 25 2014, 16:53.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12344 f3b2605a-c512-4ea7…
15ae2e3f5ec0
·sjplimp on Aug 25 2014, 16:48.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12341 f3b2605a-c512-4ea7…
a0fba99324bb
·sjplimp on Aug 25 2014, 16:29.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12340 f3b2605a-c512-4ea7…
1bef8ec3a4e9
·sjplimp on Aug 25 2014, 16:28.

Aug 15 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12335 f3b2605a-c512-4ea7…
c2bd9af8797f
·sjplimp on Aug 15 2014, 17:37.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12332 f3b2605a-c512-4ea7…
e3879a10483b
·sjplimp on Aug 15 2014, 17:35.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12331 f3b2605a-c512-4ea7…
f9814600231d
·sjplimp on Aug 15 2014, 17:29.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12327 f3b2605a-c512-4ea7…
7d6b59f9858d
·sjplimp on Aug 15 2014, 01:30.

Aug 14 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12321 f3b2605a-c512-4ea7…
8831166f0df8
·sjplimp on Aug 14 2014, 22:45.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12320 f3b2605a-c512-4ea7…
3f6a8028678c
·sjplimp on Aug 14 2014, 22:44.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12317 f3b2605a-c512-4ea7…
af7d84de2d17
·sjplimp on Aug 14 2014, 22:14.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12316 f3b2605a-c512-4ea7…
10dfed77c90d
·sjplimp on Aug 14 2014, 22:07.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12315 f3b2605a-c512-4ea7…
18a1c57b5688
·sjplimp on Aug 14 2014, 21:25.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12314 f3b2605a-c512-4ea7…
b05729b9087f
·sjplimp on Aug 14 2014, 19:24.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12313 f3b2605a-c512-4ea7…
64bc87ab3a89
·sjplimp on Aug 14 2014, 18:49.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12310 f3b2605a-c512-4ea7…
0f6eb0877ebc
·sjplimp on Aug 14 2014, 18:30.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12309 f3b2605a-c512-4ea7…
405a2fd48797
·sjplimp on Aug 14 2014, 15:10.

Aug 12 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12301 f3b2605a-c512-4ea7…
2cff5bfbad13
·sjplimp on Aug 12 2014, 16:44.

Aug 9 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12294 f3b2605a-c512-4ea7…
eb0e123dbe93
·sjplimp on Aug 9 2014, 00:01.

Aug 8 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12286 f3b2605a-c512-4ea7…
b7e6d76f38a8
·sjplimp on Aug 8 2014, 22:36.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12285 f3b2605a-c512-4ea7…
c1e12f950867
·sjplimp on Aug 8 2014, 19:55.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12284 f3b2605a-c512-4ea7…
9026afed5cf9
·sjplimp on Aug 8 2014, 16:25.

Aug 7 2014

Fixed double-counting of bonds and dihedrals for self-bonded atoms
1ff3afc54c4e
·athomps on Aug 7 2014, 19:58.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12281 f3b2605a-c512-4ea7…
9947eb748f3b
·sjplimp on Aug 7 2014, 18:00.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12276 f3b2605a-c512-4ea7…
1541a02bc6b7
·sjplimp on Aug 7 2014, 16:23.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12275 f3b2605a-c512-4ea7…
a049550eed6b
·sjplimp on Aug 7 2014, 16:23.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12274 f3b2605a-c512-4ea7…
3f3446e8dded
·sjplimp on Aug 7 2014, 16:23.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12269 f3b2605a-c512-4ea7…
fd5116990806
·sjplimp on Aug 7 2014, 01:34.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12268 f3b2605a-c512-4ea7…
d8728db35a1c
·sjplimp on Aug 7 2014, 01:31.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12267 f3b2605a-c512-4ea7…
f58ea4fdc0a6
·sjplimp on Aug 7 2014, 01:30.

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lammps/src
master9482ac8cfe7561ddfe86938…