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5325 Commits

Author SHA1 Message Date
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
sjplimp 601fb2f9a1 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8512 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-07-25 16:59:27 +00:00
sjplimp c07472d404 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8503 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-07-25 15:37:51 +00:00
sjplimp 052e83334e git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8502 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-07-25 15:37:36 +00:00
sjplimp 6bfa697ae2 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8500 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-07-25 15:18:55 +00:00
sjplimp 52eba645ca git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8499 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-07-25 15:17:24 +00:00
sjplimp 47552d4033 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8498 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-07-25 15:16:20 +00:00
sjplimp 912cfaca75 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8497 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-07-25 15:15:41 +00:00
sjplimp 5e52200ad3 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8496 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-07-24 23:14:32 +00:00
sjplimp 93f70b4f0a git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8495 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-07-24 23:08:02 +00:00
sjplimp 5cd1f06da6 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8494 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-07-24 22:58:10 +00:00
sjplimp 66f14edf60 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8493 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-07-24 18:33:34 +00:00
sjplimp 3d59bf0166 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8492 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-07-24 18:33:20 +00:00
sjplimp 35e3d38972 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8491 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-07-24 15:15:48 +00:00
sjplimp 8b62babddd git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8490 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-07-24 14:55:49 +00:00
sjplimp 0d1ef8e3be git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8489 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-07-16 16:22:16 +00:00
sjplimp e81f2934e0 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8488 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-07-16 16:18:09 +00:00
athomps 0505a48409 Added note on triclinic deformations and skew 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8485 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2012-07-16 15:32:31 +00:00