Commit Graph

390 Commits

Author SHA1 Message Date
c316fb0984 use global constant for sqrt(pi) 2014-10-13 17:21:48 -04:00
635b5096dc adapt energy calculation for pppm/gpu to dynamic charges 2014-10-09 18:29:18 -04:00
3091e09e61 Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
Resolved Conflicts:
	doc/Manual.html
	doc/Manual.txt
2014-09-20 13:20:27 -04:00
39373a22c3 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12513 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-09-18 14:24:18 +00:00
e162a292b6 Merge remote branch 'lammps-ro/master' into lammps-icms
Resolved Conflicts:
	doc/Manual.html
	doc/Manual.txt
	lib/cuda/Makefile.defaults
2014-09-12 13:07:05 +02:00
fb2b228ac9 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12483 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-09-11 15:43:36 +00:00
052a84f81d Merge remote branch 'lammps-ro/master' into lammps-icms
Resovled Conflicts:
	src/lammps.cpp
2014-09-11 13:44:35 +02:00
90d0ffba1d git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12480 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-09-10 22:46:53 +00:00
58a11d6bc2 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12474 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-09-10 19:39:31 +00:00
fbad8a44c8 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12470 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-09-10 17:30:53 +00:00
d52414244a Merge remote branch 'lammps-ro/master' into lammps-icms
Resolved Conflicts:
	doc/package.txt
	src/fix_move.cpp
2014-09-10 14:54:22 +02:00
f864979cdd git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12463 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-09-09 22:52:01 +00:00
b57945c40e git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12457 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-09-09 21:15:33 +00:00
b843c808a5 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12455 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-09-09 19:23:31 +00:00
5686267236 Merge remote branch 'lammps-ro/master' into lammps-icms 2014-09-02 16:09:43 +02:00
d01c12f754 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12383 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-08-29 19:27:03 +00:00
5a518e74da git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12382 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-08-29 18:32:09 +00:00
4a197537c0 Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
Resolved Conflicts:
	doc/Manual.html
	doc/Manual.txt
2014-08-07 08:24:10 -04:00
2cca373515 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12253 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-08-06 16:07:54 +00:00
b9531f508f git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12148 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-06-27 17:27:39 +00:00
8a9e1676eb git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12147 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-06-27 17:27:28 +00:00
709410d625 import the host code for trung's GPU code update 2014-06-24 12:58:43 -04:00
7b5846a386 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12131 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-06-14 19:34:09 +00:00
fc07ea5d0f detect and disallow using fix adapt with GPU pair styles. 2014-06-13 10:14:17 -04:00
bed37a791d fix cleanup bug in GPU package 2014-05-15 15:52:48 -04:00
2f5937b0a1 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11991 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-05-14 20:19:25 +00:00
1d825a887c fix compile errors/warnings introduced by may 13 patch 2014-05-14 07:56:26 -04:00
55365522a9 big dead code cleanup of comb3 pair style 2014-05-08 15:08:28 -04:00
8bee4ef596 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11907 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-05-02 21:49:36 +00:00
e6c7249143 another round of removing unused variables 2014-04-29 13:01:47 -04:00
f461504c93 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11829 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-04-18 15:25:28 +00:00
6763c4a230 a few more styles that should be affected by maxatom=0 by default 2014-04-18 05:43:41 -04:00
9374001aad next batch of unused variable removal 2014-04-16 16:36:59 -04:00
1fac1d41fa git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11789 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-04-15 15:24:27 +00:00
35870e58b1 more dead code removal 2014-04-13 11:38:33 -04:00
2210549382 class member gpulist is not used in GPU pair styles. 2014-04-13 11:14:34 -04:00
5f4db57b19 another set of dead code removal 2014-04-12 22:03:42 -04:00
c6f92bf19d remove dead code 2014-04-11 18:00:22 -04:00
0916861315 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11777 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-04-11 14:46:49 +00:00
b6042b1585 some more cleanup to silence compiler warnings 2014-04-11 06:15:12 -04:00
0023b06acf more cleanup changes 2014-04-11 12:09:34 +02:00
5bb50f8841 Merge remote branch 'lammps-ro/master' into lammps-icms
Resolved Conflicts:
	doc/Manual.html
	doc/Manual.txt
	src/USER-OMP/fix_qeq_comb_omp.cpp
2014-04-10 13:24:56 +02:00
103812fa84 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11758 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-04-09 16:52:19 +00:00
0f7f4a1e43 Merge remote branch 'lammps-ro/master' into lammps-icms
Resolved Conflicts:
	doc/Manual.html
	doc/Manual.txt
	lib/gpu/lal_device.cpp
2014-03-21 13:58:34 +01:00
1ce84626f2 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11662 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-03-20 15:00:59 +00:00
430aed042a Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
Conflicts:
	doc/Manual.html
	doc/Manual.txt
	tools/msi2lmp/src/msi2lmp.c
2014-03-20 10:50:23 -04:00
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
625b3d3bde Merge branch 'merge-stable' into lammps-icms
Resolved Conflicts:
	src/REPLICA/tad.cpp
	src/USER-CG-CMM/pair_cmm_common.cpp
	src/USER-CG-CMM/pair_cmm_common.h
2014-01-30 17:24:37 -05:00
5136d59713 anticipate 1 Feb 2014 patch from upstream 2014-01-30 17:21:25 -05:00
cd9ad0b7d2 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11391 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-01-30 18:18:18 +00:00