Diffusion lammps (master) History

lammps/src
master47552d40335ead88a874ca0…

Jul 25 2012

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8498 f3b2605a-c512-4ea7…
47552d40335e
·sjplimp on Jul 25 2012, 17:16.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8497 f3b2605a-c512-4ea7…
912cfaca75dc
·sjplimp on Jul 25 2012, 17:15.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8496 f3b2605a-c512-4ea7…
5e52200ad3a8
·sjplimp on Jul 25 2012, 01:14.

Jul 24 2012

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8493 f3b2605a-c512-4ea7…
66f14edf6036
·sjplimp on Jul 24 2012, 20:33.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8492 f3b2605a-c512-4ea7…
3d59bf016651
·sjplimp on Jul 24 2012, 20:33.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8491 f3b2605a-c512-4ea7…
35e3d38972ef
·sjplimp on Jul 24 2012, 17:15.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8490 f3b2605a-c512-4ea7…
8b62babdddcf
·sjplimp on Jul 24 2012, 16:55.

Jul 16 2012

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8489 f3b2605a-c512-4ea7…
0d1ef8e3be57
·sjplimp on Jul 16 2012, 18:22.

Jul 10 2012

Added DELTATILT to box skew check
95e51c0cda17
·athomps on Jul 10 2012, 22:32.

Jul 9 2012

Backing out recent changes (8479, 8480, and 8482) where 2 FFT version of PPPM…
98977d765cd5
·pscrozi on Jul 9 2012, 18:50.

Jul 7 2012

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8482 f3b2605a-c512-4ea7…
cf16cc1dd2e7
·pscrozi on Jul 7 2012, 19:46.

Jul 6 2012

Updating pppm_cuda.cpp to correspond with recent PPPM changes.
193e63f44399
·pscrozi on Jul 6 2012, 01:04.
Adding in 2 FFT version of PPPM for better scaling. This also includes some…
aa27b1b646f6
·pscrozi on Jul 6 2012, 01:03.

Jul 5 2012

Changing variable name so that it isn't overloaded.
eeeb01316dc6
·pscrozi on Jul 5 2012, 23:57.

Jul 4 2012

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8475 f3b2605a-c512-4ea7…
7a388da069df
·sjplimp on Jul 4 2012, 02:31.
Updated error message in fix nvt/npt/nph
e86cb77378e8
·athomps on Jul 4 2012, 01:19.
Updated error message in fix nvt/npt/nph
194d503cd3a8
·athomps on Jul 4 2012, 01:10.
Added tilt factor scaling and fixed-point features to fix box/relax
c89a12ff717e
·athomps on Jul 4 2012, 00:50.

Jul 3 2012

Adding in a new slab option for Jeremy Templeton. Invoked by "kspace_modify…
4a0601f8751e
·pscrozi on Jul 3 2012, 19:21.
Improved rms force error estimate for coulomb tables. Now takes into…
56ca4db42cd2
·pscrozi on Jul 3 2012, 17:47.

Jul 2 2012

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8460 f3b2605a-c512-4ea7…
d2ced1abaa4a
·sjplimp on Jul 2 2012, 16:40.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8459 f3b2605a-c512-4ea7…
58f17efa4bcd
·sjplimp on Jul 2 2012, 16:28.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8458 f3b2605a-c512-4ea7…
839b0566475d
·sjplimp on Jul 2 2012, 16:21.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8457 f3b2605a-c512-4ea7…
f38a94ae8a93
·sjplimp on Jul 2 2012, 16:14.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8456 f3b2605a-c512-4ea7…
0aaac5757cbd
·sjplimp on Jul 2 2012, 16:07.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8455 f3b2605a-c512-4ea7…
b1a4398a744f
·sjplimp on Jul 2 2012, 15:59.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8454 f3b2605a-c512-4ea7…
ef2bb14bab4b
·sjplimp on Jul 2 2012, 15:59.

Jun 30 2012

Adding a method for estimating coulomb table precision and factoring that into…
71f4cdf3f117
·pscrozi on Jun 30 2012, 00:49.
Making initial estimate for g_ewald more robust and better documented.
4323d1522a22
·pscrozi on Jun 30 2012, 00:25.

Jun 29 2012

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8446 f3b2605a-c512-4ea7…
a8338a0263ee
·sjplimp on Jun 29 2012, 23:21.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8445 f3b2605a-c512-4ea7…
3ae7999dab74
·sjplimp on Jun 29 2012, 23:19.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8444 f3b2605a-c512-4ea7…
1171c44e5e23
·sjplimp on Jun 29 2012, 23:19.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8443 f3b2605a-c512-4ea7…
271b40ea9cbb
·sjplimp on Jun 29 2012, 23:18.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8441 f3b2605a-c512-4ea7…
e83510effad8
·sjplimp on Jun 29 2012, 23:17.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8440 f3b2605a-c512-4ea7…
4ad514f97b2c
·sjplimp on Jun 29 2012, 23:17.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8439 f3b2605a-c512-4ea7…
5dbe265bbc8c
·sjplimp on Jun 29 2012, 23:10.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8438 f3b2605a-c512-4ea7…
06d12cd6ec20
·sjplimp on Jun 29 2012, 23:10.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8435 f3b2605a-c512-4ea7…
4fb3d545587a
·sjplimp on Jun 29 2012, 20:04.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8434 f3b2605a-c512-4ea7…
945fc5a36a65
·sjplimp on Jun 29 2012, 20:01.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8432 f3b2605a-c512-4ea7…
6795f0f3afad
·sjplimp on Jun 29 2012, 19:16.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8431 f3b2605a-c512-4ea7…
0746aaeb799b
·sjplimp on Jun 29 2012, 19:08.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8430 f3b2605a-c512-4ea7…
3c1f57ce6dcb
·sjplimp on Jun 29 2012, 18:38.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8427 f3b2605a-c512-4ea7…
1b02e7be5ecd
·sjplimp on Jun 29 2012, 16:36.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8426 f3b2605a-c512-4ea7…
1624264bc847
·sjplimp on Jun 29 2012, 16:07.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8425 f3b2605a-c512-4ea7…
96f101c787ce
·sjplimp on Jun 29 2012, 01:53.

Jun 28 2012

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8423 f3b2605a-c512-4ea7…
76b5e67319c8
·sjplimp on Jun 28 2012, 18:15.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8422 f3b2605a-c512-4ea7…
85c6376af25f
·sjplimp on Jun 28 2012, 18:12.

Jun 27 2012

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8413 f3b2605a-c512-4ea7…
6ee328d0fc65
·sjplimp on Jun 27 2012, 19:59.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8412 f3b2605a-c512-4ea7…
7a77a0a69be5
·sjplimp on Jun 27 2012, 19:56.
Bug fix to prevent segfault when deallocate_groups is called even though groups…
3d3dd0d50b27
·pscrozi on Jun 27 2012, 19:31.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8409 f3b2605a-c512-4ea7…
f6de5943ed93
·sjplimp on Jun 27 2012, 17:42.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8408 f3b2605a-c512-4ea7…
ad9d69168597
·sjplimp on Jun 27 2012, 17:41.

Jun 26 2012

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8406 f3b2605a-c512-4ea7…
4d428c59d769
·sjplimp on Jun 26 2012, 16:29.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8405 f3b2605a-c512-4ea7…
ae666be85e69
·sjplimp on Jun 26 2012, 16:12.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8402 f3b2605a-c512-4ea7…
9bdeeadfd8e3
·sjplimp on Jun 26 2012, 02:52.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8401 f3b2605a-c512-4ea7…
5a78b33db740
·sjplimp on Jun 26 2012, 02:50.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8399 f3b2605a-c512-4ea7…
0d3734ead467
·sjplimp on Jun 26 2012, 01:41.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8398 f3b2605a-c512-4ea7…
dfb51e6b00d4
·sjplimp on Jun 26 2012, 01:31.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8397 f3b2605a-c512-4ea7…
83784f8381ff
·sjplimp on Jun 26 2012, 00:29.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8395 f3b2605a-c512-4ea7…
66c5617afbe6
·sjplimp on Jun 26 2012, 00:03.

Jun 25 2012

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8393 f3b2605a-c512-4ea7…
8f6a8d13d594
·sjplimp on Jun 25 2012, 19:30.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8392 f3b2605a-c512-4ea7…
da1c864eab79
·sjplimp on Jun 25 2012, 19:13.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8391 f3b2605a-c512-4ea7…
e8ff810ee770
·sjplimp on Jun 25 2012, 18:42.

Jun 23 2012

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8386 f3b2605a-c512-4ea7…
e7611d421f60
·sjplimp on Jun 23 2012, 00:52.

Jun 22 2012

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8385 f3b2605a-c512-4ea7…
8f68628a20f8
·sjplimp on Jun 22 2012, 18:21.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8379 f3b2605a-c512-4ea7…
4f6d26042e33
·sjplimp on Jun 22 2012, 01:48.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8377 f3b2605a-c512-4ea7…
45f8666346b3
·sjplimp on Jun 22 2012, 01:30.

Jun 21 2012

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8374 f3b2605a-c512-4ea7…
c76a926406d5
·sjplimp on Jun 21 2012, 19:27.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8371 f3b2605a-c512-4ea7…
ee874d1dff4a
·sjplimp on Jun 21 2012, 19:23.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8370 f3b2605a-c512-4ea7…
83416310f2d5
·sjplimp on Jun 21 2012, 19:19.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8369 f3b2605a-c512-4ea7…
79a7e57328ff
·sjplimp on Jun 21 2012, 18:57.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8368 f3b2605a-c512-4ea7…
63f63e456772
·sjplimp on Jun 21 2012, 18:56.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8365 f3b2605a-c512-4ea7…
31bc11ee34db
·sjplimp on Jun 21 2012, 18:27.

Jun 20 2012

Removed energy_updte_freq from nonbond calculation
7398f3eca3d0
·athomps on Jun 20 2012, 21:43.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8362 f3b2605a-c512-4ea7…
e7b124f39600
·sjplimp on Jun 20 2012, 21:22.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8361 f3b2605a-c512-4ea7…
b247eeb103f5
·sjplimp on Jun 20 2012, 21:20.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8360 f3b2605a-c512-4ea7…
4baf5cec9930
·sjplimp on Jun 20 2012, 20:06.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8358 f3b2605a-c512-4ea7…
1c162a9e1b31
·sjplimp on Jun 20 2012, 18:40.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8357 f3b2605a-c512-4ea7…
7975177abdc9
·sjplimp on Jun 20 2012, 18:40.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8356 f3b2605a-c512-4ea7…
69f5fbf42194
·sjplimp on Jun 20 2012, 17:49.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8355 f3b2605a-c512-4ea7…
f3eb64fd0f7a
·sjplimp on Jun 20 2012, 17:11.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8354 f3b2605a-c512-4ea7…
0cd34fb8a2d9
·sjplimp on Jun 20 2012, 16:59.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8353 f3b2605a-c512-4ea7…
bf54b6b9ff9f
·sjplimp on Jun 20 2012, 16:59.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8352 f3b2605a-c512-4ea7…
c1e0bec7f6d6
·sjplimp on Jun 20 2012, 16:29.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8351 f3b2605a-c512-4ea7…
f55e618e9e83
·sjplimp on Jun 20 2012, 16:08.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8349 f3b2605a-c512-4ea7…
e2d32549ab64
·sjplimp on Jun 20 2012, 15:48.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8348 f3b2605a-c512-4ea7…
7000d43d107a
·sjplimp on Jun 20 2012, 15:46.

Jun 19 2012

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8347 f3b2605a-c512-4ea7…
b96c9934caef
·sjplimp on Jun 19 2012, 23:40.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8346 f3b2605a-c512-4ea7…
9733df592997
·sjplimp on Jun 19 2012, 23:35.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8344 f3b2605a-c512-4ea7…
7198c2aaca71
·sjplimp on Jun 19 2012, 22:49.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8343 f3b2605a-c512-4ea7…
dc9431dcb221
·sjplimp on Jun 19 2012, 22:44.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8342 f3b2605a-c512-4ea7…
7b55b61abb74
·sjplimp on Jun 19 2012, 22:33.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8340 f3b2605a-c512-4ea7…
0241b5ce29e3
·sjplimp on Jun 19 2012, 22:06.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8339 f3b2605a-c512-4ea7…
df9a09506336
·sjplimp on Jun 19 2012, 22:00.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8338 f3b2605a-c512-4ea7…
8b99b249141f
·sjplimp on Jun 19 2012, 21:56.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8337 f3b2605a-c512-4ea7…
f35b83be0bc7
·sjplimp on Jun 19 2012, 21:46.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8335 f3b2605a-c512-4ea7…
228e4c4514c9
·sjplimp on Jun 19 2012, 21:28.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8334 f3b2605a-c512-4ea7…
e94aec42d1c0
·sjplimp on Jun 19 2012, 21:24.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8332 f3b2605a-c512-4ea7…
459ac110a80d
·sjplimp on Jun 19 2012, 18:21.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8331 f3b2605a-c512-4ea7…
242315e7b40a
·sjplimp on Jun 19 2012, 18:21.

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lammps/src
master47552d40335ead88a874ca0…