35c5f95799
remove outdated makefiles
2016-04-20 05:52:36 -04:00
1b78b34323
permission cleanup
2016-04-16 14:48:28 -04:00
b3d9ea1344
whitespace cleanup
2016-04-16 14:46:53 -04:00
9297032ed4
use generic byte order preprocessor detection for fast math routines
2016-04-16 14:43:34 -04:00
dc0734b3f7
Merge branch 'coul-long-gpu-fixed' of https://github.com/ndtrung81/lammps into merge-pull-49
2016-04-16 04:40:17 -04:00
9c6c7b2d0c
Fixed bugs in coul/long/gpu
2016-04-16 12:26:59 +07:00
ee0630afea
update colvars library with bugfixes/updates from giacomo and jerome
2016-04-14 18:43:24 -04:00
266c247655
minor cleanups for colvars. update to version 2016-04-08.
2016-04-08 09:43:41 -04:00
5a26b927bc
import colvars code with multi-thread support
2016-04-08 09:30:28 -04:00
7910ec3297
update from trung with bugfixes for tersoff/sw and new tersoff/mod/gpu and tersoff/zbl/gpu
2016-03-28 06:47:38 -04:00
79c065d992
added info to the README
2016-03-22 11:09:15 +00:00
101d7664c8
add proper dependencies for POEMS library
2016-03-21 23:40:51 -04:00
83416c3a6d
fix incorrct use of array delete.
2016-03-21 22:31:04 -04:00
cfbbfe6fdd
initialize structs with memset()
2016-03-21 22:17:41 -04:00
11f1ab658f
improve test for numeric conversion, so it compiled with gcc 5.3
2016-03-21 06:44:05 -04:00
e58b10fa81
fix bug in lj/charmm/coul/charmm reported on lammps-users
2016-03-11 08:45:28 -05:00
32123d875f
forgot file with dependencies
2016-03-11 07:18:33 -05:00
e14762f7a1
provide explicit dependencies in lib/meam for parallel make
2016-03-11 07:10:21 -05:00
33d4321c46
update to colvars library as of 2016-03-08
2016-03-09 06:08:11 -05:00
943cc0ac19
update Eigen template library to version 3.2.8
2016-03-02 17:52:56 -05:00
28c510d67b
some more colvars updates to silence compiler warnings
2016-02-28 10:53:40 -05:00
ebd41bc07f
merge colvars updates as of feb 28th
2016-02-28 10:16:27 -05:00
ab005ce599
Updates to pair_kim to support hybrid and fix_adapt
2016-02-22 15:06:56 -06:00
38c23402c3
incorporate tersoff/gpu bugfix from trung
2016-02-19 16:50:41 +01:00
688d865daf
make QM/MM binary compilation compatible with update library build procedure in LAMMPS
2016-02-19 12:26:59 +01:00
1d9d6f9241
Merge remote branch 'lammps-ro/master' into lammps-icms
...
Resolved Conflicts:
doc/Eqs/improper_dist-1.jpg
doc/Eqs/pair_mdf-1.jpg
doc/Eqs/pair_mdf-2.jpg
doc/Eqs/pair_mdf-3.jpg
doc/Eqs/pair_mdf-4.jpg
doc/Eqs/pair_mdf-5.jpg
doc/Eqs/pair_mdf-6.jpg
doc/Manual.html
doc/Manual.txt
doc/Section_commands.txt
doc/dump_custom_vtk.txt
doc/fix.txt
lib/vtk/Makefile.lammps
python/lammps.py
src/Makefile
src/USER-COLVARS/ndx_group.cpp
src/USER-VTK/dump_custom_vtk.h
2016-02-16 12:44:25 +01:00
52ca6416a0
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14632 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-02-15 22:34:20 +00:00
cd14e4314d
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14593 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-02-15 15:32:27 +00:00
70599efcf3
Merge branch 'user-vtk' of git://github.com/rbberger/lammps into merge-pull-24
2016-01-31 08:16:32 -05:00
062b18022c
Added Makefile.lammps examples in lib/vtk for CentOS
2016-01-30 22:56:23 +01:00
d4efa2d1c7
Added README to lib/vtk and examples for Makefile.lammps
2016-01-30 22:12:22 +01:00
939889fd26
activate settings for newer VTK release
2016-01-30 13:51:20 -05:00
23a4078194
update settings for CentOS 6.x with EPEL
2016-01-30 19:45:18 +01:00
d8c3c99f54
Merge remote-tracking branch 'upstream/lammps-icms' into user-vtk
2016-01-30 17:48:21 +01:00
6303826d29
Merge remote branch 'lammps-ro/master' into lammps-icms
2016-01-29 13:59:06 +01:00
b355fa25f4
Squelching annoying kokkos output
...
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14508 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-01-28 21:07:07 +00:00
833f597b81
Merge remote branch 'lammps-ro/master' into lammps-icms
...
Resolved Conflicts:
doc/Manual.txt
2016-01-27 13:57:00 +01:00
0541d52c17
Fixing Kokkos bug
...
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14504 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-01-26 23:49:57 +00:00
ae296699be
Initial import from LIGGGHTS
...
- changes file headers to LAMMPS header, but retains copyright notices
- removed LIGGGHTS specific additions
- set up user package skeleton
2015-12-24 00:16:40 +01:00
b5a1ba9bfa
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14371 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-12-15 22:29:37 +00:00
06a217aa08
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14370 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-12-15 22:26:37 +00:00
de060a56ad
Merge branch 'merge-pull-22' into lammps-icms
2015-12-11 07:35:04 -05:00
441eeca80b
Kokkos: put the LAMMPS specific settings into Makefile.kokkos
2015-12-10 15:23:52 -07:00
91a791bbb3
Snapshot of kokkos.git from commit 0a776f65e7429b875839719c4fe528c15e871e46
...
From repository at git@github.com:/kokkos/kokkos.git
At commit:
commit 0a776f65e7429b875839719c4fe528c15e871e46
Author: crtrott <crtrott@sandia.gov>
Date: Thu Dec 10 11:51:50 2015 -0700
Adding CUDA 7.5 as secondary compiler to README
2015-12-10 11:52:34 -07:00
27b1219a65
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
2015-11-25 09:09:32 -05:00
88f58beb97
Added latest changes from Albert Bartok
...
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14274 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-11-24 16:26:24 +00:00
f6c76f4623
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14265 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-11-18 18:23:45 +00:00
8689bf35f9
incorporate GPU package update from Trung
2015-11-16 11:21:16 -05:00
32e7f09dba
Update Eigen template library components to version 3.2.7
2015-11-16 11:04:09 -05:00
dd6c89640e
plug memory leak in otherwise currently unused code
2015-11-05 11:44:51 -05:00
