jianmu
/
lammps
forked from lijiext/lammps
1
0
Fork 0
Code Issues Pull Requests Packages Projects Releases Wiki Activity
5,142 Commits 9 Branches 198 Tags 1.1 GiB
Commit Graph

5142 Commits

Author SHA1 Message Date
sjplimp 77880cb45a git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8575 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-08-08 16:35:23 +00:00
sjplimp f34e434316 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8573 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-08-08 15:37:02 +00:00
sjplimp 6eb8089075 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8572 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-08-08 15:34:15 +00:00
sjplimp 296cf4fab2 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8571 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-08-08 15:32:02 +00:00
sjplimp 4210601e41 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8570 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-08-08 15:31:51 +00:00
sjplimp b47e7e7bde git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8569 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-08-08 15:31:35 +00:00
sjplimp 1236aa9a4a git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8568 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-08-08 15:31:29 +00:00
sjplimp 0271bc482f git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8566 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-08-08 15:19:08 +00:00
sjplimp 21abfef15c git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8565 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-08-08 15:17:00 +00:00
sjplimp 2d1d827842 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8564 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-08-08 15:00:31 +00:00
sjplimp 628ef9081f git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8563 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-08-08 15:00:24 +00:00
sjplimp 5132647c39 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8562 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-08-08 14:47:48 +00:00
sjplimp 40a2577564 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8560 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-08-08 14:18:21 +00:00
sjplimp 6be09326c0 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8558 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-08-08 14:16:15 +00:00
sjplimp 0971332fe3 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8557 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-08-08 14:16:01 +00:00
sjplimp ca31cc85fe git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8555 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-08-07 18:22:56 +00:00
sjplimp 898b0f0a86 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8554 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-08-07 18:22:05 +00:00
sjplimp 4fefccb438 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8553 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-08-07 18:17:03 +00:00
sjplimp 16114b3b95 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8552 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-08-07 17:47:45 +00:00
sjplimp be1e06897b git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8551 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-08-07 16:12:48 +00:00
pscrozi 435a693fd8 With the creation of pppm/old, we no longer need PPPM::diffpr and we can change the name of PPPM::rms to make it more meaningful and require fewer variables be passed to it. Minor clean-up. 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8549 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2012-08-06 23:25:51 +00:00
sjplimp fe659573e9 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8547 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-08-06 22:53:21 +00:00
sjplimp ec122cad25 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8546 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-08-06 22:51:58 +00:00
sjplimp a134b94633 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8545 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-08-06 22:51:11 +00:00
sjplimp 671c90bcca git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8544 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-08-06 22:50:52 +00:00
sjplimp df7994356a git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8543 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-08-06 22:46:44 +00:00
sjplimp 76721f9101 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8542 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-08-06 22:46:35 +00:00
sjplimp 3631240914 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8539 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-08-06 22:28:38 +00:00
sjplimp 48b22abf0b git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8538 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-08-06 22:23:35 +00:00
sjplimp a4b5cb4dc9 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8537 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-08-06 22:23:19 +00:00
sjplimp b361264715 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8536 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-08-06 22:11:04 +00:00
sjplimp ac3572a0c9 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8534 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-08-06 21:20:29 +00:00
sjplimp d6a1220341 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8533 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-08-06 21:20:08 +00:00
sjplimp e4d3494ab2 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8532 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-08-06 21:19:58 +00:00
sjplimp 93181e05b0 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8531 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-08-06 21:10:08 +00:00
sjplimp 9631345b05 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8530 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-08-06 21:05:10 +00:00
sjplimp 3f5513cc1e git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8529 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-08-06 20:48:48 +00:00
sjplimp 32a9b0b92c git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8527 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-08-04 20:43:35 +00:00
sjplimp bb9541993c git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8526 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-08-04 19:30:28 +00:00
pscrozi c4f8d2d110 Analytic differentiation (AD) for PPPM. 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8525 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2012-08-02 18:40:46 +00:00
pscrozi d33a0604e2 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8524 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-08-02 17:59:22 +00:00
pscrozi adc385d450 Need more samples in order to get a non-zero timing for kspace FFT flops calculation. Boosting from 5 to 1000. 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8523 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2012-08-02 17:12:44 +00:00
pscrozi ec87f00bff git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8522 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-08-01 15:19:19 +00:00
sjplimp c579294b09 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8520 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-07-31 23:51:17 +00:00
sjplimp c3f93644ac git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8519 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-07-31 23:47:56 +00:00
athomps 4ec21d8ca8 Added reax/c array allocation keywords 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8518 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2012-07-31 23:08:39 +00:00
athomps 6f67e5cf3e Added reax/c array allocation keywords 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8517 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2012-07-31 23:08:02 +00:00
pscrozi 3d999ea9fa git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8516 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-07-31 21:55:36 +00:00
pscrozi 37d905578c Adding a domain remap after doing an MC particle move. This fixes a bug that shows up when an MC particle move moves a particle through the PBC. 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8515 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2012-07-31 17:55:48 +00:00
sjplimp 311d2b0a0c git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8514 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-07-30 13:59:32 +00:00