Diffusion lammps (lammm-master-deprecated) History

lammps/lib
lammm-master-deprecated35c5f9579926871c5c12bc5…

Apr 20 2016

remove outdated makefiles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

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

update colvars library with bugfixes/updates from giacomo and jerome
ee0630afea58
·Axel Kohlmeyer on Apr 15 2016, 00:43.

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.

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

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

improve test for numeric conversion, so it compiled with gcc 5.3
11f1ab658fac
·Axel Kohlmeyer on Mar 21 2016, 11:44.

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.

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 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.

Aug 14 2015

colvars update 2015-08-12
55c32a2e06bb
·Axel Kohlmeyer on Aug 14 2015, 15:28.

Aug 13 2015

add custom build fedora laptop
89df652bdaa6
·Axel Kohlmeyer on Aug 13 2015, 14:22.

Aug 12 2015

convery library compression styles into "COMPRESS" package
83f21d479ce3
·Axel Kohlmeyer on Aug 12 2015, 14:08.

Aug 11 2015

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
c020fba2a153
·Axel Kohlmeyer on Aug 11 2015, 16:02.

Aug 10 2015

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13856 f3b2605a-c512-4ea7…
4731f7e94a07
·sjplimp on Aug 10 2015, 22:35.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13854 f3b2605a-c512-4ea7…
f2276c9d9f81
·sjplimp on Aug 10 2015, 22:27.

Aug 7 2015

include stripped down copy of Eigen3 for USER-SMD
23b6b284ced2
·Axel Kohlmeyer on Aug 7 2015, 06:37.

lammps/liblammm-master-deprecated35c5f9579926871c5c12bc5…

Apr 20 2016

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lammps/lib
lammm-master-deprecated35c5f9579926871c5c12bc5…