Homec4science
Diffusion lammps (lammm-master) Graph

lammps/lib
lammm-master

History Graph

CommitAuthorDetailsCommitted
69194a748d14Axel Kohlmeyer
fix bug in assigning covalent radii for qm/mm. cleanups. more message tags 
Jul 12 2016
cbfb07e1a3d1Axel Kohlmeyer
update lib/qmmm with files from carlo 
Jul 8 2016
d5beeb18db3bAxel Kohlmeyer
update colvars library to version 2016-07-05 
Jul 7 2016
b1bea249f194ndtrung
Fixed bugs with three-body gpu styles when the neighbor list's inum is zero (i. 
Jul 2 2016
076464e41187Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Jul 2 2016
a99c922a14c6sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15249 f3b2605a-c512-4ea7… 
Jul 2 2016
9656958169dfsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15248 f3b2605a-c512-4ea7… 
Jul 2 2016
7b40957f4749ndtrung
Fixed bugs with tersoff potentials for pair hybrid, which involve computing zeta 
Jul 1 2016
9484292b764eAxel Kohlmeyer
remove USER-CUDA library 
Jun 27 2016
f47a9e33e6dcAxel Kohlmeyer
update colvars library to 2016-06-23 version 
Jun 27 2016
7c016aee735eAxel Kohlmeyer
remove trailing whitespace and replace tabs with spaces in gpu library and… 
Jun 24 2016
b56bdd2d7bf3Axel Kohlmeyer
remove trailing whitespace in gpu library 
Jun 24 2016
bc8c50615c6dAxel Kohlmeyer
include patch from trung that addresses issues when using manybody potentials… 
Jun 24 2016
2fcd26f6c41bsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15200 f3b2605a-c512-4ea7… 
Jun 18 2016
e5fb28a6a092sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15199 f3b2605a-c512-4ea7… 
Jun 18 2016
da8b07b4f090Axel Kohlmeyer
update colvars library to version 2016-06-14 
Jun 17 2016
328224a2985csjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15181 f3b2605a-c512-4ea7… 
Jun 16 2016
66312fac551dAxel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Jun 15 2016
0d519f52089dAxel Kohlmeyer
Merge branch 'merge-pull-93' into lammps-icms 
Jun 14 2016
3f29578a55e2Jeff Larkin/GitHub
Removed mistake in previous CUDA 8.0 fix. 
Jun 14 2016
a4b82a95e9ecsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15162 f3b2605a-c512-4ea7… 
Jun 14 2016
2ab42126ce34Axel Kohlmeyer
remove debug printf in gpu library 
Jun 11 2016
48cec4d7d21aAxel Kohlmeyer
update colvars library to version 2016-06-09 
Jun 10 2016
c071db331d0fAxel Kohlmeyer
auto-adapt linux gpu makefile when using cuda environment modules 
Jun 8 2016
fdd0c314aadcAxel Kohlmeyer
make default linux makefiles adapt to cuda dir more automatically. 
Jun 8 2016
bc44b94c7256Axel Kohlmeyer
Merge branch 'master' of https://github.com/jefflarkin/lammps into merge-pull-82 
Jun 8 2016
d7cef6c97a39Jeff Larkin
Fixed deprecated CUDA Driver feature. 
Jun 8 2016
7e57e0d83407Axel Kohlmeyer
update QM/MM coupling interface to the current state of quantum espresso 
Jun 8 2016
afb6f64578dcAxel Kohlmeyer
enable exceptions and type info when compiling voro++ 
Jun 5 2016
e653da12a6a5sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15095 f3b2605a-c512-4ea7… 
Jun 2 2016
37b2124cd5e6Axel Kohlmeyer
update colvars to version 2016-05-23 
Jun 1 2016
7f4d0cf11af4Axel Kohlmeyer
undo LAMMPS-ICMS customizations for USER-CUDA in anticipation of its upstream… 
Jun 1 2016
dfb0f528c09asjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15038 f3b2605a-c512-4ea7… 
May 12 2016
8b0323df321dAxel Kohlmeyer
update colvars library to 2016-05-10 version 
May 11 2016
bf3187d764f8sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14938 f3b2605a-c512-4ea7… 
May 6 2016
fbaa883cb675Axel Kohlmeyer
update to colvars library to version 2016-05-03 
May 6 2016
889065b70e5dAxel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
May 4 2016
1ded28d21435Axel Kohlmeyer
bugfix for Vector class scalar division operator. fix return type and value 
May 3 2016
f4dc6a4f6d33Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
May 3 2016
48d65b7fef8cstamoor
Enabling new kokkos view 
May 3 2016
91447edb5839sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14928 f3b2605a-c512-4ea7… 
May 3 2016
665bb5887d25Axel Kohlmeyer
update makefiles for meam to use fm_exp() and remove obsolete ones 
May 3 2016
33ce33ce360dstamoor
Reverting back to old kokkos view 
May 3 2016
fda492ea48ecstamoor
Updating kokkos lib 
May 3 2016
0a1b76524844stamoor
Updating kokkos lib 
May 3 2016
00f38fdaf08esjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14910 f3b2605a-c512-4ea7… 
Apr 30 2016
90dddbbe97a6Axel Kohlmeyer
small updates to colvars to version 2016-04-28 
Apr 29 2016
17fd5898dfd1sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14900 f3b2605a-c512-4ea7… 
Apr 28 2016
7005d59d254cAxel Kohlmeyer
update to colvars version of 27-04-2016 
Apr 27 2016
98ed24437dfesjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14875 f3b2605a-c512-4ea7… 
Apr 26 2016
5f0578f95a42Axel Kohlmeyer
update colvars to version of 2016-04-20 
Apr 23 2016
184d5dc0f0e7sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14867 f3b2605a-c512-4ea7… 
Apr 22 2016
35c5f9579926Axel Kohlmeyer
remove outdated makefiles 
Apr 20 2016
44ca843073d3sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14841 f3b2605a-c512-4ea7… 
Apr 18 2016
1b78b3432339Axel Kohlmeyer
permission cleanup 
Apr 16 2016
b3d9ea134437Axel Kohlmeyer
whitespace cleanup 
Apr 16 2016
9297032ed4e1Axel Kohlmeyer
use generic byte order preprocessor detection for fast math routines 
Apr 16 2016
dc0734b3f70eAxel Kohlmeyer
Merge branch 'coul-long-gpu-fixed' of https://github.com/ndtrung81/lammps into… 
Apr 16 2016
9c6c7b2d0cbandtrung
Fixed bugs in coul/long/gpu 
Apr 16 2016
a4e8eaaf4d60sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14833 f3b2605a-c512-4ea7… 
Apr 15 2016
f50b03fcaba7sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14830 f3b2605a-c512-4ea7… 
Apr 15 2016
212a95528583sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14829 f3b2605a-c512-4ea7… 
Apr 15 2016
ee0630afea58Axel Kohlmeyer
update colvars library with bugfixes/updates from giacomo and jerome 
Apr 15 2016
ef7e119c86fbsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14824 f3b2605a-c512-4ea7… 
Apr 14 2016
c46d973c2bc9sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14823 f3b2605a-c512-4ea7… 
Apr 14 2016
266c2476556cAxel Kohlmeyer
minor cleanups for colvars. update to version 2016-04-08. 
Apr 8 2016
5a26b927bcffAxel Kohlmeyer
import colvars code with multi-thread support 
Apr 8 2016
008896a77d6csjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14808 f3b2605a-c512-4ea7… 
Apr 7 2016
67a4004f2353sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14807 f3b2605a-c512-4ea7… 
Apr 7 2016
7910ec32971fAxel Kohlmeyer
update from trung with bugfixes for tersoff/sw and new tersoff/mod/gpu and… 
Mar 28 2016
0528cde33171sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14783 f3b2605a-c512-4ea7… 
Mar 22 2016
acc29ff26610sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14778 f3b2605a-c512-4ea7… 
Mar 22 2016
361ed36bedcasjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14775 f3b2605a-c512-4ea7… 
Mar 22 2016
79c065d992acA Bartok-Partay
added info to the README 
Mar 22 2016
101d7664c80aAxel Kohlmeyer
add proper dependencies for POEMS library 
Mar 22 2016
83416c3a6d09Axel Kohlmeyer
fix incorrct use of array delete. 
Mar 22 2016
cfbbfe6fddfdAxel Kohlmeyer
initialize structs with memset() 
Mar 22 2016
edb3f9559c51sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14758 f3b2605a-c512-4ea7… 
Mar 21 2016
11f1ab658facAxel Kohlmeyer
improve test for numeric conversion, so it compiled with gcc 5.3 
Mar 21 2016
ad3c57cb63a8sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14746 f3b2605a-c512-4ea7… 
Mar 14 2016
e58b10fa8121Axel Kohlmeyer
fix bug in lj/charmm/coul/charmm reported on lammps-users 
Mar 11 2016
32123d875f8eAxel Kohlmeyer
forgot file with dependencies 
Mar 11 2016
e14762f7a19fAxel Kohlmeyer
provide explicit dependencies in lib/meam for parallel make 
Mar 11 2016
33d4321c4659Axel Kohlmeyer
update to colvars library as of 2016-03-08 
Mar 9 2016
943cc0ac196cAxel Kohlmeyer
update Eigen template library to version 3.2.8 
Mar 2 2016
9d64c50cd0aasjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14709 f3b2605a-c512-4ea7… 
Mar 1 2016
20beaccf0f53sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14703 f3b2605a-c512-4ea7… 
Mar 1 2016
756480ba645fsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14701 f3b2605a-c512-4ea7… 
Mar 1 2016
28c510d67beaAxel Kohlmeyer
some more colvars updates to silence compiler warnings 
Feb 28 2016
ebd41bc07fc2Axel Kohlmeyer
merge colvars updates as of feb 28th 
Feb 28 2016
ab005ce59929Ryan S. Elliott
Updates to pair_kim to support hybrid and fix_adapt 
Feb 22 2016
38c23402c330Axel Kohlmeyer
incorporate tersoff/gpu bugfix from trung 
Feb 19 2016
688d865dafa2Axel Kohlmeyer
make QM/MM binary compilation compatible with update library build procedure in… 
Feb 19 2016
08b53bb70997sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14657 f3b2605a-c512-4ea7… 
Feb 18 2016
1d9d6f924170Axel Kohlmeyer
Merge remote branch 'lammps-ro/master' into lammps-icms 
Feb 16 2016
52ca6416a08csjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14632 f3b2605a-c512-4ea7… 
Feb 15 2016
cd14e4314d08sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14593 f3b2605a-c512-4ea7… 
Feb 15 2016
70599efcf368Axel Kohlmeyer
Merge branch 'user-vtk' of git://github.com/rbberger/lammps into merge-pull-24 
Jan 31 2016
062b18022cb4Richard Berger
Added Makefile.lammps examples in lib/vtk for CentOS 
Jan 30 2016
d4efa2d1c751Richard Berger
Added README to lib/vtk and examples for Makefile.lammps 
Jan 30 2016
1
2
Next
c4science · Help