Diffusion lammps (master) History

History
master912cfaca75dc63d4e6ef9f8…

Jul 25 2012

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.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8495 f3b2605a-c512-4ea7…
93f70b4f0a52
·sjplimp on Jul 25 2012, 01:08.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8494 f3b2605a-c512-4ea7…
5cd1f06da632
·sjplimp on Jul 25 2012, 00:58.

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.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8488 f3b2605a-c512-4ea7…
e81f2934e027
·sjplimp on Jul 16 2012, 18:18.
Added note on triclinic deformations and skew
0505a48409ca
·athomps on Jul 16 2012, 17:32.

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

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8481 f3b2605a-c512-4ea7…
65a4122ac30d
·pscrozi on Jul 6 2012, 01:15.
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.
Added tilt factor scaling and fixed-point features to fix box/relax
959f12463b2c
·athomps on Jul 4 2012, 00:49.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8469 f3b2605a-c512-4ea7…
f3404420e445
·sjplimp on Jul 4 2012, 00:16.

Jul 3 2012

Adding in a new slab option for Jeremy Templeton. Invoked by "kspace_modify…
5a6c205b6f99
·pscrozi on Jul 3 2012, 19:29.
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.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8462 f3b2605a-c512-4ea7…
93adc50c750c
·sjplimp on Jul 3 2012, 16:05.

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.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8452 f3b2605a-c512-4ea7…
0c9ab4551ea9
·sjplimp on Jun 30 2012, 00:35.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8450 f3b2605a-c512-4ea7…
b667ae086c82
·sjplimp on Jun 30 2012, 00:28.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8449 f3b2605a-c512-4ea7…
540c1dbc0668
·sjplimp on Jun 30 2012, 00:27.
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@8442 f3b2605a-c512-4ea7…
5f46ef4e804e
·sjplimp on Jun 29 2012, 23:17.
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@8433 f3b2605a-c512-4ea7…
fee52f2fac2b
·sjplimp on Jun 29 2012, 19:52.
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@8429 f3b2605a-c512-4ea7…
ab5264cbdcde
·sjplimp on Jun 29 2012, 17:51.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8428 f3b2605a-c512-4ea7…
7d32a328db94
·sjplimp on Jun 29 2012, 17:51.
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.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8419 f3b2605a-c512-4ea7…
9db45bcb9269
·sjplimp on Jun 28 2012, 01:15.

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.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8407 f3b2605a-c512-4ea7…
bd0a01b5ba1c
·sjplimp on Jun 27 2012, 16:44.

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@8403 f3b2605a-c512-4ea7…
b6303a1e837f
·sjplimp on Jun 26 2012, 02:53.
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@8400 f3b2605a-c512-4ea7…
231647f0f550
·sjplimp on Jun 26 2012, 01:46.
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@8396 f3b2605a-c512-4ea7…
05e044abf48d
·sjplimp on Jun 26 2012, 00:22.
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.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8390 f3b2605a-c512-4ea7…
bee842bed7c0
·sjplimp on Jun 25 2012, 16:50.

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@8382 f3b2605a-c512-4ea7…
b33ba405a3b1
·sjplimp on Jun 22 2012, 15:40.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8381 f3b2605a-c512-4ea7…
186fec68f324
·sjplimp on Jun 22 2012, 02:18.
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@8378 f3b2605a-c512-4ea7…
ab6544cd71f9
·sjplimp on Jun 22 2012, 01:47.
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@8376 f3b2605a-c512-4ea7…
87fe07030be3
·sjplimp on Jun 21 2012, 19:37.
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@8373 f3b2605a-c512-4ea7…
b3560bde9c3d
·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@8367 f3b2605a-c512-4ea7…
dc17d7963573
·sjplimp on Jun 21 2012, 18:48.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8366 f3b2605a-c512-4ea7…
0030566ad843
·sjplimp on Jun 21 2012, 18:27.

Historymaster912cfaca75dc63d4e6ef9f8…

Jul 25 2012

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History
master912cfaca75dc63d4e6ef9f8…