Diffusion lammps (lammm-master) History

lammps/lib
lammm-masterc7e4cf7d332b9eba1c0120f…

Jul 12 2016

fix bug in assigning covalent radii for qm/mm. cleanups. more message tags
69194a748d14
·Axel Kohlmeyer on Jul 12 2016, 20:12.

Jul 8 2016

update lib/qmmm with files from carlo
cbfb07e1a3d1
·Axel Kohlmeyer on Jul 8 2016, 18:05.

Jul 7 2016

update colvars library to version 2016-07-05
d5beeb18db3b
·Axel Kohlmeyer on Jul 7 2016, 03:27.

Jul 2 2016

Fixed bugs with three-body gpu styles when the neighbor list's inum is zero (i.
b1bea249f194
·ndtrung on Jul 2 2016, 17:17.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
076464e41187
·Axel Kohlmeyer on Jul 2 2016, 12:27.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15249 f3b2605a-c512-4ea7…
a99c922a14c6
·sjplimp on Jul 2 2016, 01:29.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15248 f3b2605a-c512-4ea7…
9656958169df
·sjplimp on Jul 2 2016, 01:27.

Jul 1 2016

Fixed bugs with tersoff potentials for pair hybrid, which involve computing zeta
7b40957f4749
·ndtrung on Jul 1 2016, 04:30.

Jun 27 2016

remove USER-CUDA library
9484292b764e
·Axel Kohlmeyer on Jun 27 2016, 17:36.
update colvars library to 2016-06-23 version
f47a9e33e6dc
·Axel Kohlmeyer on Jun 27 2016, 17:33.

Jun 24 2016

remove trailing whitespace and replace tabs with spaces in gpu library and…
7c016aee735e
·Axel Kohlmeyer on Jun 24 2016, 19:59.
remove trailing whitespace in gpu library
b56bdd2d7bf3
·Axel Kohlmeyer on Jun 24 2016, 19:55.
include patch from trung that addresses issues when using manybody potentials…
bc8c50615c6d
·Axel Kohlmeyer on Jun 24 2016, 19:50.

Jun 18 2016

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15200 f3b2605a-c512-4ea7…
2fcd26f6c41b
·sjplimp on Jun 18 2016, 01:07.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15199 f3b2605a-c512-4ea7…
e5fb28a6a092
·sjplimp on Jun 18 2016, 01:07.

Jun 17 2016

update colvars library to version 2016-06-14
da8b07b4f090
·Axel Kohlmeyer on Jun 17 2016, 14:30.

Jun 16 2016

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15181 f3b2605a-c512-4ea7…
328224a2985c
·sjplimp on Jun 16 2016, 17:44.

Jun 15 2016

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
66312fac551d
·Axel Kohlmeyer on Jun 15 2016, 12:19.

Jun 14 2016

Merge branch 'merge-pull-93' into lammps-icms
0d519f52089d
·Axel Kohlmeyer on Jun 14 2016, 18:03.
Removed mistake in previous CUDA 8.0 fix.
3f29578a55e2
·Jeff Larkin / GitHub on Jun 14 2016, 17:32.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15162 f3b2605a-c512-4ea7…
a4b82a95e9ec
·sjplimp on Jun 14 2016, 15:58.

Jun 11 2016

remove debug printf in gpu library
2ab42126ce34
·Axel Kohlmeyer on Jun 11 2016, 12:36.

Jun 10 2016

update colvars library to version 2016-06-09
48cec4d7d21a
·Axel Kohlmeyer on Jun 10 2016, 11:54.

Jun 8 2016

auto-adapt linux gpu makefile when using cuda environment modules
c071db331d0f
·Axel Kohlmeyer on Jun 8 2016, 20:05.
make default linux makefiles adapt to cuda dir more automatically.
fdd0c314aadc
·Axel Kohlmeyer on Jun 8 2016, 19:40.
Merge branch 'master' of https://github.com/jefflarkin/lammps into merge-pull-82
bc44b94c7256
·Axel Kohlmeyer on Jun 8 2016, 18:35.
Fixed deprecated CUDA Driver feature.
d7cef6c97a39
·Jeff Larkin on Jun 8 2016, 18:15.
update QM/MM coupling interface to the current state of quantum espresso
7e57e0d83407
·Axel Kohlmeyer on Jun 8 2016, 00:24.

Jun 5 2016

enable exceptions and type info when compiling voro++
afb6f64578dc
·Axel Kohlmeyer on Jun 5 2016, 22:26.

Jun 2 2016

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15095 f3b2605a-c512-4ea7…
e653da12a6a5
·sjplimp on Jun 2 2016, 16:03.

Jun 1 2016

update colvars to version 2016-05-23
37b2124cd5e6
·Axel Kohlmeyer on Jun 1 2016, 13:00.
undo LAMMPS-ICMS customizations for USER-CUDA in anticipation of its upstream…
7f4d0cf11af4
·Axel Kohlmeyer on Jun 1 2016, 12:27.

May 12 2016

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15038 f3b2605a-c512-4ea7…
dfb0f528c09a
·sjplimp on May 12 2016, 15:52.

May 11 2016

update colvars library to 2016-05-10 version
8b0323df321d
·Axel Kohlmeyer on May 11 2016, 12:55.

May 6 2016

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14938 f3b2605a-c512-4ea7…
bf3187d764f8
·sjplimp on May 6 2016, 16:20.
update to colvars library to version 2016-05-03
fbaa883cb675
·Axel Kohlmeyer on May 6 2016, 10:40.

May 4 2016

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
889065b70e5d
·Axel Kohlmeyer on May 4 2016, 12:15.

May 3 2016

bugfix for Vector class scalar division operator. fix return type and value
1ded28d21435
·Axel Kohlmeyer on May 3 2016, 22:10.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
f4dc6a4f6d33
·Axel Kohlmeyer on May 3 2016, 20:07.
Enabling new kokkos view
48d65b7fef8c
·stamoor on May 3 2016, 18:24.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14928 f3b2605a-c512-4ea7…
91447edb5839
·sjplimp on May 3 2016, 18:11.
update makefiles for meam to use fm_exp() and remove obsolete ones
665bb5887d25
·Axel Kohlmeyer on May 3 2016, 16:01.
Reverting back to old kokkos view
33ce33ce360d
·stamoor on May 3 2016, 01:40.
Updating kokkos lib
fda492ea48ec
·stamoor on May 3 2016, 00:10.
Updating kokkos lib
0a1b76524844
·stamoor on May 3 2016, 00:06.

Apr 30 2016

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14910 f3b2605a-c512-4ea7…
00f38fdaf08e
·sjplimp on Apr 30 2016, 20:06.

Apr 29 2016

small updates to colvars to version 2016-04-28
90dddbbe97a6
·Axel Kohlmeyer on Apr 29 2016, 13:30.

Apr 28 2016

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14900 f3b2605a-c512-4ea7…
17fd5898dfd1
·sjplimp on Apr 28 2016, 16:48.

Apr 27 2016

update to colvars version of 27-04-2016
7005d59d254c
·Axel Kohlmeyer on Apr 27 2016, 19:17.

Apr 26 2016

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14875 f3b2605a-c512-4ea7…
98ed24437dfe
·sjplimp on Apr 26 2016, 20:28.

Apr 23 2016

update colvars to version of 2016-04-20
5f0578f95a42
·Axel Kohlmeyer on Apr 23 2016, 02:50.

Apr 22 2016

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14867 f3b2605a-c512-4ea7…
184d5dc0f0e7
·sjplimp on Apr 22 2016, 19:51.

Apr 20 2016

remove outdated makefiles
35c5f9579926
·Axel Kohlmeyer on Apr 20 2016, 11:52.

Apr 18 2016

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14841 f3b2605a-c512-4ea7…
44ca843073d3
·sjplimp on Apr 18 2016, 16:00.

Apr 16 2016

permission cleanup
1b78b3432339
·Axel Kohlmeyer on Apr 16 2016, 20:48.
whitespace cleanup
b3d9ea134437
·Axel Kohlmeyer on Apr 16 2016, 20:46.
use generic byte order preprocessor detection for fast math routines
9297032ed4e1
·Axel Kohlmeyer on Apr 16 2016, 20:43.
Merge branch 'coul-long-gpu-fixed' of https://github.com/ndtrung81/lammps into…
dc0734b3f70e
·Axel Kohlmeyer on Apr 16 2016, 10:40.
Fixed bugs in coul/long/gpu
9c6c7b2d0cba
·ndtrung on Apr 16 2016, 07:26.

Apr 15 2016

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14833 f3b2605a-c512-4ea7…
a4e8eaaf4d60
·sjplimp on Apr 15 2016, 18:16.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14830 f3b2605a-c512-4ea7…
f50b03fcaba7
·sjplimp on Apr 15 2016, 18:07.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14829 f3b2605a-c512-4ea7…
212a95528583
·sjplimp on Apr 15 2016, 18:07.
update colvars library with bugfixes/updates from giacomo and jerome
ee0630afea58
·Axel Kohlmeyer on Apr 15 2016, 00:43.

Apr 14 2016

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14824 f3b2605a-c512-4ea7…
ef7e119c86fb
·sjplimp on Apr 14 2016, 16:42.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14823 f3b2605a-c512-4ea7…
c46d973c2bc9
·sjplimp on Apr 14 2016, 00:25.

Apr 8 2016

minor cleanups for colvars. update to version 2016-04-08.
266c2476556c
·Axel Kohlmeyer on Apr 8 2016, 15:43.
import colvars code with multi-thread support
5a26b927bcff
·Axel Kohlmeyer on Apr 8 2016, 15:30.

Apr 7 2016

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14808 f3b2605a-c512-4ea7…
008896a77d6c
·sjplimp on Apr 7 2016, 23:10.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14807 f3b2605a-c512-4ea7…
67a4004f2353
·sjplimp on Apr 7 2016, 23:05.

Mar 28 2016

update from trung with bugfixes for tersoff/sw and new tersoff/mod/gpu and…
7910ec32971f
·Axel Kohlmeyer on Mar 28 2016, 12:47.

Mar 22 2016

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14783 f3b2605a-c512-4ea7…
0528cde33171
·sjplimp on Mar 22 2016, 15:29.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14778 f3b2605a-c512-4ea7…
acc29ff26610
·sjplimp on Mar 22 2016, 14:44.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14775 f3b2605a-c512-4ea7…
361ed36bedca
·sjplimp on Mar 22 2016, 14:43.
added info to the README
79c065d992ac
·A Bartok-Partay on Mar 22 2016, 12:09.
add proper dependencies for POEMS library
101d7664c80a
·Axel Kohlmeyer on Mar 22 2016, 04:40.
fix incorrct use of array delete.
83416c3a6d09
·Axel Kohlmeyer on Mar 22 2016, 03:31.
initialize structs with memset()
cfbbfe6fddfd
·Axel Kohlmeyer on Mar 22 2016, 03:17.

Mar 21 2016

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14758 f3b2605a-c512-4ea7…
edb3f9559c51
·sjplimp on Mar 21 2016, 17:10.
improve test for numeric conversion, so it compiled with gcc 5.3
11f1ab658fac
·Axel Kohlmeyer on Mar 21 2016, 11:44.

Mar 14 2016

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14746 f3b2605a-c512-4ea7…
ad3c57cb63a8
·sjplimp on Mar 14 2016, 19:45.

Mar 11 2016

fix bug in lj/charmm/coul/charmm reported on lammps-users
e58b10fa8121
·Axel Kohlmeyer on Mar 11 2016, 14:45.
forgot file with dependencies
32123d875f8e
·Axel Kohlmeyer on Mar 11 2016, 13:18.
provide explicit dependencies in lib/meam for parallel make
e14762f7a19f
·Axel Kohlmeyer on Mar 11 2016, 13:10.

Mar 9 2016

update to colvars library as of 2016-03-08
33d4321c4659
·Axel Kohlmeyer on Mar 9 2016, 12:08.

Mar 2 2016

update Eigen template library to version 3.2.8
943cc0ac196c
·Axel Kohlmeyer on Mar 2 2016, 23:52.

Mar 1 2016

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14709 f3b2605a-c512-4ea7…
9d64c50cd0aa
·sjplimp on Mar 1 2016, 21:47.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14703 f3b2605a-c512-4ea7…
20beaccf0f53
·sjplimp on Mar 1 2016, 21:40.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14701 f3b2605a-c512-4ea7…
756480ba645f
·sjplimp on Mar 1 2016, 21:39.

Feb 28 2016

some more colvars updates to silence compiler warnings
28c510d67bea
·Axel Kohlmeyer on Feb 28 2016, 16:53.
merge colvars updates as of feb 28th
ebd41bc07fc2
·Axel Kohlmeyer on Feb 28 2016, 16:16.

Feb 22 2016

Updates to pair_kim to support hybrid and fix_adapt
ab005ce59929
·Ryan S. Elliott on Feb 22 2016, 22:06.

Feb 19 2016

incorporate tersoff/gpu bugfix from trung
38c23402c330
·Axel Kohlmeyer on Feb 19 2016, 16:50.
make QM/MM binary compilation compatible with update library build procedure in…
688d865dafa2
·Axel Kohlmeyer on Feb 19 2016, 12:26.

Feb 18 2016

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14657 f3b2605a-c512-4ea7…
08b53bb70997
·sjplimp on Feb 18 2016, 23:31.

Feb 16 2016

Merge remote branch 'lammps-ro/master' into lammps-icms
1d9d6f924170
·Axel Kohlmeyer on Feb 16 2016, 12:44.

Feb 15 2016

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14632 f3b2605a-c512-4ea7…
52ca6416a08c
·sjplimp on Feb 15 2016, 23:34.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14593 f3b2605a-c512-4ea7…
cd14e4314d08
·sjplimp on Feb 15 2016, 16:32.

Jan 31 2016

Merge branch 'user-vtk' of git://github.com/rbberger/lammps into merge-pull-24
70599efcf368
·Axel Kohlmeyer on Jan 31 2016, 14:16.

Jan 30 2016

Added Makefile.lammps examples in lib/vtk for CentOS
062b18022cb4
·Richard Berger on Jan 30 2016, 22:56.
Added README to lib/vtk and examples for Makefile.lammps
d4efa2d1c751
·Richard Berger on Jan 30 2016, 22:12.

lammps/liblammm-masterc7e4cf7d332b9eba1c0120f…

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lammps/lib
lammm-masterc7e4cf7d332b9eba1c0120f…