Diffusion lammps (lammps-icms) History

lammps/lib
lammps-icmsa2b4a794d9a2870b135ad59…

Sep 7 2016

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
b0940dec80b5
·Axel Kohlmeyer on Sep 7 2016, 14:41.
Updating Kokkos lib
39be4185c40b
·stamoor on Sep 7 2016, 01:06.
Updating Kokkos lib
1ad033ec0c71
·stamoor on Sep 7 2016, 01:02.

Sep 6 2016

update colvars library to version 2016-09-03
4181f5ac9d72
·Axel Kohlmeyer on Sep 6 2016, 02:37.

Aug 31 2016

small bug fixes
083ff54c0c51
·sjplimp on Aug 31 2016, 22:26.
Merge branch 'lammps-icms' of bitbucket.org:akohlmey/lammps-icms into lammps…
a236af80eab5
·Axel Kohlmeyer on Aug 31 2016, 12:33.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
ccb3c31b0e2a
·Axel Kohlmeyer on Aug 31 2016, 12:32.

Aug 30 2016

Removing aggressive_vectorization flag due to safety issue
dbaaf4dbbdb6
·stamoor on Aug 30 2016, 19:52.
adjust makefiles in lib tree, so they don't return an error exit code on "make…
4117218ca3f5
·Axel Kohlmeyer on Aug 30 2016, 17:40.
avoid NaNs in MEAM
ae31f9f4edd7
·Axel Kohlmeyer on Aug 30 2016, 12:56.

Aug 27 2016

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
442fedb2a5fe
·Axel Kohlmeyer on Aug 27 2016, 16:34.

Aug 26 2016

Changing default
cc4b2dd6ede6
·stamoor on Aug 26 2016, 17:50.

Aug 23 2016

update colvars library to version 2016-08-19
c67326be6d93
·Axel Kohlmeyer on Aug 23 2016, 11:53.

Aug 13 2016

update colvars to version 2016-08-10
eba3ad9abb37
·Axel Kohlmeyer on Aug 13 2016, 13:24.

Aug 10 2016

update colvars to another set of changes from the upstream repo
cb816f8cba63
·Axel Kohlmeyer on Aug 10 2016, 15:35.
update colvars makefile dependencies
df99a85930a8
·Axel Kohlmeyer on Aug 10 2016, 15:13.
suppress compiler warning
6f227e194e1f
·Axel Kohlmeyer on Aug 10 2016, 15:12.
update colvars to version 2016-08-10
f2ddf828e485
·Axel Kohlmeyer on Aug 10 2016, 15:03.

Aug 7 2016

update colvars library to version 2016-08-05
459db2eb6b7b
·Axel Kohlmeyer on Aug 7 2016, 15:54.

Aug 3 2016

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15430 f3b2605a-c512-4ea7…
efaa84a4eab8
·sjplimp on Aug 3 2016, 21:32.

Aug 2 2016

update to colvars library version 2016-08-01
81b83331090b
·Axel Kohlmeyer on Aug 2 2016, 21:17.

Jul 29 2016

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15391 f3b2605a-c512-4ea7…
b8bf3ae5b0d7
·sjplimp on Jul 29 2016, 16:24.

Jul 27 2016

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15371 f3b2605a-c512-4ea7…
ee24be38cbc3
·sjplimp on Jul 27 2016, 16:09.

Jul 25 2016

USER-QMMM enhancement from carlo cavazzoni that moves computation from MM to QM…
7ce10e8a9ebe
·Axel Kohlmeyer on Jul 25 2016, 12:46.

Jul 21 2016

avoid memory leak in case of incorrect input
17a8bd811d09
·Axel Kohlmeyer on Jul 21 2016, 23:16.
correct test for input value
d7fa3ba7185f
·Axel Kohlmeyer on Jul 21 2016, 15:50.
make sure to provide return values in functions requiring it.
34bb34893c27
·Axel Kohlmeyer on Jul 21 2016, 15:35.

Jul 16 2016

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
1c084bc4e517
·Axel Kohlmeyer on Jul 16 2016, 13:08.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15327 f3b2605a-c512-4ea7…
e6dc896b4979
·sjplimp on Jul 16 2016, 01:02.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15322 f3b2605a-c512-4ea7…
638b0db5359e
·sjplimp on Jul 16 2016, 00:40.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15320 f3b2605a-c512-4ea7…
c79a24c7ef7a
·sjplimp on Jul 16 2016, 00:38.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15319 f3b2605a-c512-4ea7…
12f3178e868d
·sjplimp on Jul 16 2016, 00:38.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15315 f3b2605a-c512-4ea7…
05398a68637a
·sjplimp on Jul 16 2016, 00:25.

Jul 13 2016

update README file for QM/MM library
1e59f6f1182d
·Axel Kohlmeyer on Jul 13 2016, 19:45.
include QM/MM lib folder makefile for intel compilers and MPI
f3047583bf19
·Axel Kohlmeyer on Jul 13 2016, 19:43.

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.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15268 f3b2605a-c512-4ea7…
65c1e1640108
·sjplimp on Jul 7 2016, 01:26.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15267 f3b2605a-c512-4ea7…
fd27214f7d38
·sjplimp on Jul 7 2016, 01:26.

Jul 5 2016

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15261 f3b2605a-c512-4ea7…
34f829c5acc3
·sjplimp on Jul 5 2016, 16:41.

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.

lammps/liblammps-icmsa2b4a794d9a2870b135ad59…

Sep 7 2016

Sep 6 2016

Aug 31 2016

Aug 30 2016

Aug 27 2016

Aug 26 2016

Aug 23 2016

Aug 13 2016

Aug 10 2016

Aug 7 2016

Aug 3 2016

Aug 2 2016

Jul 29 2016

Jul 27 2016

Jul 25 2016

Jul 21 2016

Jul 16 2016

Jul 13 2016

Jul 12 2016

Jul 8 2016

Jul 7 2016

Jul 5 2016

Jul 2 2016

Jul 1 2016

Jun 27 2016

Jun 24 2016

Jun 18 2016

Jun 17 2016

Jun 16 2016

Jun 15 2016

Jun 14 2016

Jun 11 2016

Jun 10 2016

Jun 8 2016

Jun 5 2016

Jun 2 2016

Jun 1 2016

May 12 2016

May 11 2016

May 6 2016

May 4 2016

May 3 2016

Apr 30 2016

Apr 29 2016

Apr 28 2016

Apr 27 2016

Apr 26 2016

Apr 23 2016

Apr 22 2016

Apr 20 2016

Apr 18 2016

Apr 16 2016

Apr 15 2016

lammps/lib
lammps-icmsa2b4a794d9a2870b135ad59…