|
|
f350cc4ec7
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12637 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-10-20 21:17:46 +00:00 |
|
|
|
166a9c5bc7
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12621 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-10-07 23:03:23 +00:00 |
|
|
|
f45b388d12
|
Fixing a bug in the kspace error estimator for triclinic systems
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12529 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-09-23 22:29:05 +00:00 |
|
|
|
71f5c17f67
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12368 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-08-27 16:25:02 +00:00 |
|
|
|
df5c028ad4
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12238 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-08-01 14:42:32 +00:00 |
|
|
|
e8dd5814f3
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12233 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-07-30 17:37:50 +00:00 |
|
|
|
fe1ade5fad
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12231 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-07-30 14:59:20 +00:00 |
|
|
|
bfd3e3a684
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11757 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-04-09 16:51:15 +00:00 |
|
|
|
d54bd651a3
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11646 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-03-19 19:00:18 +00:00 |
|
|
|
7b291636cf
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11633 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-03-14 22:28:09 +00:00 |
|
|
|
9fe494cc6a
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11380 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-01-29 18:59:46 +00:00 |
|
|
|
74be71df0b
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11267 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-01-20 23:54:27 +00:00 |
|
|
|
7b71c0dfd5
|
Added kmax/ewald keyword
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10852 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2013-10-03 22:20:29 +00:00 |
|
|
|
b292458b40
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10135 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2013-06-27 23:52:42 +00:00 |
|
|
|
440d389779
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10130 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2013-06-27 23:50:33 +00:00 |
|
|
|
5b7440bf64
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10034 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2013-06-06 14:54:57 +00:00 |
|
|
|
7f18289ee3
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10010 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2013-06-04 14:55:56 +00:00 |
|
|
|
7018102f9f
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9847 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2013-05-08 21:08:55 +00:00 |
|
|
|
bfdbe3ab87
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9846 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2013-05-08 20:48:19 +00:00 |
|
|
|
817ed05528
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9453 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2013-02-12 17:13:48 +00:00 |
|
|
|
c7de837724
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9281 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2013-01-17 16:01:06 +00:00 |
|
|
|
a67b94ddb7
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9172 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2013-01-02 16:15:05 +00:00 |
|
|
|
c62169953b
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8982 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2012-10-19 16:02:26 +00:00 |
|
|
|
8ac15dc83f
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8976 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2012-10-19 15:34:11 +00:00 |
|
|
|
6a4b2a601c
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8972 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2012-10-16 18:51:02 +00:00 |
|
|
|
fe2278f1b7
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8952 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2012-10-12 19:45:06 +00:00 |
|
|
|
bf38f77b44
|
Removing ability to set split order for MSM since it is no longer needed.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8931 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2012-10-10 00:18:54 +00:00 |
|
|
|
f47d2a82b6
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8867 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2012-10-02 20:11:58 +00:00 |
|
|
|
953061d658
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8855 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2012-10-02 16:36:24 +00:00 |
|
|
|
c02f4b07a2
|
Releasing MSM "v2" for LAMMPS.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8831 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2012-10-01 17:47:47 +00:00 |
|
|
|
20a11e138a
|
Adding MSM stuff to kspace.cpp/h.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8779 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2012-09-13 19:59:27 +00:00 |
|
|
|
dba019f3e4
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8723 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2012-08-28 14:21:55 +00:00 |
|
|
|
4a0601f875
|
Adding in a new slab option for Jeremy Templeton. Invoked by "kspace_modify slab nozforce", which run slab mode with no long-range z forces.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8464 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2012-07-03 17:21:56 +00:00 |
|
|
|
56ca4db42c
|
Improved rms force error estimate for coulomb tables. Now takes into consideration charge density, cutoff, number of atoms, etc.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8463 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2012-07-03 15:47:48 +00:00 |
|
|
|
71f4cdf3f1
|
Adding a method for estimating coulomb table precision and factoring that into overall kspace precision estimate.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8453 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2012-06-29 22:49:51 +00:00 |
|
|
|
ef9e700545
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8226 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2012-06-06 22:47:51 +00:00 |
|
|
|
9eeb694432
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8094 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2012-05-18 22:03:32 +00:00 |
|
|
|
8e34d4b27a
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8044 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2012-05-04 19:31:50 +00:00 |
|
|
|
3191fb7c87
|
Adding a differentiation flag option to allow users to select analytic differentiation for PPPM.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8041 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2012-05-03 15:30:26 +00:00 |
|
|
|
e4974ae9af
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8016 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2012-04-12 22:32:17 +00:00 |
|
|
|
61c4fa6ee0
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7907 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2012-03-05 15:31:20 +00:00 |
|
|
|
6a544be9cf
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7858 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2012-02-28 19:52:12 +00:00 |
|
|
|
14318fa300
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7798 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2012-02-15 23:40:55 +00:00 |
|
|
|
7a22c79244
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7782 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2012-02-14 20:14:03 +00:00 |
|
|
|
4f48544d41
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7379 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2011-12-16 21:15:49 +00:00 |
|
|
|
19e8c92a90
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7003 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2011-09-23 18:06:55 +00:00 |
|
|
|
557c982bf4
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5627 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2011-02-11 15:37:55 +00:00 |
|
|
|
85f070b25b
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5104 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2010-10-22 21:26:44 +00:00 |
|
|
|
a4eff9cc14
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1828 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2008-05-15 23:58:17 +00:00 |
|
|
|
ec0984b642
|
Relaxed allowable range for slab parameter
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@475 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2007-04-12 16:38:19 +00:00 |
|
