Diffusion lammps (lammm-master) History

lammps/lib
lammm-mastera2b4a794d9a2870b135ad59…

Apr 15 2016

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.
activate settings for newer VTK release
939889fd26dc
·Axel Kohlmeyer on Jan 30 2016, 19:51.
update settings for CentOS 6.x with EPEL
23a4078194bb
·Axel Kohlmeyer on Jan 30 2016, 19:45.
Merge remote-tracking branch 'upstream/lammps-icms' into user-vtk
d8c3c99f546e
·Richard Berger on Jan 30 2016, 17:48.

Jan 29 2016

Merge remote branch 'lammps-ro/master' into lammps-icms
6303826d2969
·Axel Kohlmeyer on Jan 29 2016, 13:59.

Jan 28 2016

Squelching annoying kokkos output
b355fa25f455
·stamoor on Jan 28 2016, 22:07.

Jan 27 2016

Merge remote branch 'lammps-ro/master' into lammps-icms
833f597b8182
·Axel Kohlmeyer on Jan 27 2016, 13:57.
Fixing Kokkos bug
0541d52c17a1
·stamoor on Jan 27 2016, 00:49.

Dec 24 2015

Initial import from LIGGGHTS
ae296699bef2
·Richard Berger on Dec 24 2015, 00:16.

Dec 15 2015

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14371 f3b2605a-c512-4ea7…
b5a1ba9bfade
·sjplimp on Dec 15 2015, 23:29.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14370 f3b2605a-c512-4ea7…
06a217aa08e6
·sjplimp on Dec 15 2015, 23:26.

Dec 11 2015

Merge branch 'merge-pull-22' into lammps-icms
de060a56ad58
·Axel Kohlmeyer on Dec 11 2015, 13:35.

Dec 10 2015

Kokkos: put the LAMMPS specific settings into Makefile.kokkos
441eeca80b9b
·crtrott on Dec 10 2015, 23:23.
Snapshot of kokkos.git from commit 0a776f65e7429b875839719c4fe528c15e871e46
91a791bbb3d8
·crtrott on Dec 10 2015, 19:52.

Nov 25 2015

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
27b1219a65f1
·Axel Kohlmeyer on Nov 25 2015, 15:09.

Nov 24 2015

Added latest changes from Albert Bartok
88f58beb97d6
·athomps on Nov 24 2015, 17:26.

Nov 18 2015

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14265 f3b2605a-c512-4ea7…
f6c76f46235d
·sjplimp on Nov 18 2015, 19:23.

Nov 16 2015

incorporate GPU package update from Trung
8689bf35f9fe
·Axel Kohlmeyer on Nov 16 2015, 17:21.
Update Eigen template library components to version 3.2.7
32e7f09dba80
·Axel Kohlmeyer on Nov 16 2015, 17:04.

Nov 5 2015

plug memory leak in otherwise currently unused code
dd6c89640ecb
·Axel Kohlmeyer on Nov 5 2015, 17:44.

Oct 28 2015

clean up a few small issues in lib/atc spotted by coverity
ef44bbaf4336
·Axel Kohlmeyer on Oct 28 2015, 22:33.

Oct 27 2015

remove executable flag from makefiles
f634a5e14053
·Axel Kohlmeyer on Oct 27 2015, 03:41.

Oct 23 2015

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14165 f3b2605a-c512-4ea7…
449f373db533
·sjplimp on Oct 23 2015, 00:08.

Oct 22 2015

record updated version number from colvars upstream repository
5e1998a1bd94
·Axel Kohlmeyer on Oct 22 2015, 22:54.

Oct 20 2015

remove REAX package and references to it in the documentation
c6e41c4a32c5
·Axel Kohlmeyer on Oct 20 2015, 20:37.

Oct 14 2015

adjust code in switch statement for enabling colvars similar to what is done…
8dc20218b08d
·Axel Kohlmeyer on Oct 14 2015, 01:13.

Oct 13 2015

add argument checking and handle timerstep counters with 64-bit integers…
8cdb890b10c6
·Axel Kohlmeyer on Oct 13 2015, 18:16.

Oct 12 2015

update colvars library to version from 2015-09-29
52d245a964a9
·Axel Kohlmeyer on Oct 12 2015, 17:29.

Oct 9 2015

delete out-of-bounds label.
97e6e67ca9a5
·Axel Kohlmeyer on Oct 9 2015, 00:50.

Sep 25 2015

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14075 f3b2605a-c512-4ea7…
61649b57d0ed
·sjplimp on Sep 25 2015, 00:52.

Sep 24 2015

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14060 f3b2605a-c512-4ea7…
44c8bb9cbf2c
·sjplimp on Sep 24 2015, 22:23.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14059 f3b2605a-c512-4ea7…
6f39a0a78d86
·sjplimp on Sep 24 2015, 22:23.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
2638309e5946
·Axel Kohlmeyer on Sep 24 2015, 14:23.

Sep 23 2015

Kokkos bugfix
cb971f016601
·stamoor on Sep 23 2015, 20:10.

Sep 15 2015

import proposed GPU bugfix from trung.
01bc05a7fc76
·Axel Kohlmeyer on Sep 15 2015, 17:40.

Sep 9 2015

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14004 f3b2605a-c512-4ea7…
942cce877bf8
·sjplimp on Sep 9 2015, 01:38.

Sep 8 2015

include sw/gpu bugfix from trung
acddfc7217e5
·Axel Kohlmeyer on Sep 8 2015, 16:32.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14001 f3b2605a-c512-4ea7…
c7303a1c1d12
·sjplimp on Sep 8 2015, 16:13.

Sep 3 2015

update colvars to version from Sept 3rd 2015
7a06a4dc9f42
·Axel Kohlmeyer on Sep 3 2015, 19:33.

Sep 2 2015

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13986 f3b2605a-c512-4ea7…
ae980d6fd1f7
·sjplimp on Sep 2 2015, 22:41.

Sep 1 2015

h5md library should be compiled with -fPIC by default
e36993cc8415
·Axel Kohlmeyer on Sep 1 2015, 17:00.

Aug 29 2015

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13950 f3b2605a-c512-4ea7…
0f3d77ed7509
·sjplimp on Aug 29 2015, 01:35.

Aug 28 2015

directory paths and install script were still broken for USER-H5MD
0391af765027
·Axel Kohlmeyer on Aug 28 2015, 21:06.

Aug 26 2015

remove unneeded files from voro++ library
dc85234bf6fd
·Axel Kohlmeyer on Aug 26 2015, 06:24.

Aug 25 2015

remove direct HDF5 API call from main code; redirect to wrapper library instead
06f8fa153c1f
·Axel Kohlmeyer on Aug 25 2015, 00:05.

Aug 24 2015

compile h5md library correctly
d77b7c2b77c5
·Axel Kohlmeyer on Aug 24 2015, 22:03.
step 1 on merging changes from ch5md to h5md
fd629d412d0b
·Axel Kohlmeyer on Aug 24 2015, 21:49.
rename h5md library path to which git seemed to have missed.
0fa1a952e0ec
·Axel Kohlmeyer on Aug 24 2015, 21:45.
next attempt to fix the HDF5 compilation on Travis CI's ubuntu VMs.
d287261e1722
·Axel Kohlmeyer on Aug 24 2015, 21:34.
not all HDF5 calls are abstraced by wrapper library. need compatibility define…
591bb6f4647a
·Axel Kohlmeyer on Aug 24 2015, 21:23.
change settings for H5MD support, so it compiles on ubuntu 12.04 LTS and add to…
54a14b07a355
·Axel Kohlmeyer on Aug 24 2015, 21:06.

Aug 21 2015

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
187e0b9ce49b
·Axel Kohlmeyer on Aug 21 2015, 12:48.

Aug 20 2015

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13926 f3b2605a-c512-4ea7…
fec05878359f
·sjplimp on Aug 20 2015, 18:53.
Commented out line (temporarily) that causes a segmentation fault in the USER…
3fcbe43295a0
·stamoor on Aug 20 2015, 17:55.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
e5f316ecf1f8
·Axel Kohlmeyer on Aug 20 2015, 13:42.
Updating Kokkos library--adding new folder
494ee3b26c32
·stamoor on Aug 20 2015, 00:17.
Updating Kokkos library--first deleting old folder
e2ac7b23523b
·stamoor on Aug 20 2015, 00:12.

Aug 19 2015

MEAM library does not play well with clang. force using gcc
e2f07a155cee
·Axel Kohlmeyer on Aug 19 2015, 23:24.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13913 f3b2605a-c512-4ea7…
3e90c3eeabdb
·sjplimp on Aug 19 2015, 17:43.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13908 f3b2605a-c512-4ea7…
185e746ccb0d
·sjplimp on Aug 19 2015, 17:19.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13907 f3b2605a-c512-4ea7…
071ded95fcd2
·sjplimp on Aug 19 2015, 17:16.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13906 f3b2605a-c512-4ea7…
21f8abda248c
·sjplimp on Aug 19 2015, 17:15.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13904 f3b2605a-c512-4ea7…
1c3e0dbfe9e7
·sjplimp on Aug 19 2015, 16:56.

lammps/liblammm-mastera2b4a794d9a2870b135ad59…

Apr 15 2016

Apr 14 2016

Apr 8 2016

Apr 7 2016

Mar 28 2016

Mar 22 2016

Mar 21 2016

Mar 14 2016

Mar 11 2016

Mar 9 2016

Mar 2 2016

Mar 1 2016

Feb 28 2016

Feb 22 2016

Feb 19 2016

Feb 18 2016

Feb 16 2016

Feb 15 2016

Jan 31 2016

Jan 30 2016

Jan 29 2016

Jan 28 2016

Jan 27 2016

Dec 24 2015

Dec 15 2015

Dec 11 2015

Dec 10 2015

Nov 25 2015

Nov 24 2015

Nov 18 2015

Nov 16 2015

Nov 5 2015

Oct 28 2015

Oct 27 2015

Oct 23 2015

Oct 22 2015

Oct 20 2015

Oct 14 2015

Oct 13 2015

Oct 12 2015

Oct 9 2015

Sep 25 2015

Sep 24 2015

Sep 23 2015

Sep 15 2015

Sep 9 2015

Sep 8 2015

Sep 3 2015

Sep 2 2015

Sep 1 2015

Aug 29 2015

Aug 28 2015

Aug 26 2015

Aug 25 2015

Aug 24 2015

Aug 21 2015

Aug 20 2015

Aug 19 2015

lammps/lib
lammm-mastera2b4a794d9a2870b135ad59…