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Diffusion lammps (master) Graph

lammps/lib
master

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CommitAuthorDetailsCommitted
de060a56ad58Axel Kohlmeyer
Merge branch 'merge-pull-22' into lammps-icms 
Dec 11 2015
441eeca80b9bcrtrott
Kokkos: put the LAMMPS specific settings into Makefile.kokkos 
Dec 10 2015
91a791bbb3d8crtrott
Snapshot of kokkos.git from commit 0a776f65e7429b875839719c4fe528c15e871e46 
Dec 10 2015
27b1219a65f1Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Nov 25 2015
88f58beb97d6athomps
Added latest changes from Albert Bartok 
Nov 24 2015
f6c76f46235dsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14265 f3b2605a-c512-4ea7… 
Nov 18 2015
8689bf35f9feAxel Kohlmeyer
incorporate GPU package update from Trung 
Nov 16 2015
32e7f09dba80Axel Kohlmeyer
Update Eigen template library components to version 3.2.7 
Nov 16 2015
dd6c89640ecbAxel Kohlmeyer
plug memory leak in otherwise currently unused code 
Nov 5 2015
ef44bbaf4336Axel Kohlmeyer
clean up a few small issues in lib/atc spotted by coverity 
Oct 28 2015
f634a5e14053Axel Kohlmeyer
remove executable flag from makefiles 
Oct 27 2015
449f373db533sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14165 f3b2605a-c512-4ea7… 
Oct 23 2015
5e1998a1bd94Axel Kohlmeyer
record updated version number from colvars upstream repository 
Oct 22 2015
c6e41c4a32c5Axel Kohlmeyer
remove REAX package and references to it in the documentation 
Oct 20 2015
8dc20218b08dAxel Kohlmeyer
adjust code in switch statement for enabling colvars similar to what is done… 
Oct 14 2015
8cdb890b10c6Axel Kohlmeyer
add argument checking and handle timerstep counters with 64-bit integers… 
Oct 13 2015
52d245a964a9Axel Kohlmeyer
update colvars library to version from 2015-09-29 
Oct 12 2015
97e6e67ca9a5Axel Kohlmeyer
delete out-of-bounds label. 
Oct 9 2015
61649b57d0edsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14075 f3b2605a-c512-4ea7… 
Sep 25 2015
44c8bb9cbf2csjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14060 f3b2605a-c512-4ea7… 
Sep 24 2015
6f39a0a78d86sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14059 f3b2605a-c512-4ea7… 
Sep 24 2015
2638309e5946Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Sep 24 2015
cb971f016601stamoor
Kokkos bugfix 
Sep 23 2015
01bc05a7fc76Axel Kohlmeyer
import proposed GPU bugfix from trung. 
Sep 15 2015
942cce877bf8sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14004 f3b2605a-c512-4ea7… 
Sep 9 2015
acddfc7217e5Axel Kohlmeyer
include sw/gpu bugfix from trung 
Sep 8 2015
c7303a1c1d12sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14001 f3b2605a-c512-4ea7… 
Sep 8 2015
7a06a4dc9f42Axel Kohlmeyer
update colvars to version from Sept 3rd 2015 
Sep 3 2015
ae980d6fd1f7sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13986 f3b2605a-c512-4ea7… 
Sep 2 2015
e36993cc8415Axel Kohlmeyer
h5md library should be compiled with -fPIC by default 
Sep 1 2015
0f3d77ed7509sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13950 f3b2605a-c512-4ea7… 
Aug 29 2015
0391af765027Axel Kohlmeyer
directory paths and install script were still broken for USER-H5MD 
Aug 28 2015
dc85234bf6fdAxel Kohlmeyer
remove unneeded files from voro++ library 
Aug 26 2015
06f8fa153c1fAxel Kohlmeyer
remove direct HDF5 API call from main code; redirect to wrapper library instead 
Aug 25 2015
d77b7c2b77c5Axel Kohlmeyer
compile h5md library correctly 
Aug 24 2015
fd629d412d0bAxel Kohlmeyer
step 1 on merging changes from ch5md to h5md 
Aug 24 2015
0fa1a952e0ecAxel Kohlmeyer
rename h5md library path to which git seemed to have missed. 
Aug 24 2015
d287261e1722Axel Kohlmeyer
next attempt to fix the HDF5 compilation on Travis CI's ubuntu VMs. 
Aug 24 2015
591bb6f4647aAxel Kohlmeyer
not all HDF5 calls are abstraced by wrapper library. need compatibility define… 
Aug 24 2015
54a14b07a355Axel Kohlmeyer
change settings for H5MD support, so it compiles on ubuntu 12.04 LTS and add to… 
Aug 24 2015
187e0b9ce49bAxel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Aug 21 2015
fec05878359fsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13926 f3b2605a-c512-4ea7… 
Aug 20 2015
3fcbe43295a0stamoor
Commented out line (temporarily) that causes a segmentation fault in the USER… 
Aug 20 2015
e5f316ecf1f8Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Aug 20 2015
494ee3b26c32stamoor
Updating Kokkos library--adding new folder 
Aug 20 2015
e2ac7b23523bstamoor
Updating Kokkos library--first deleting old folder 
Aug 20 2015
e2f07a155ceeAxel Kohlmeyer
MEAM library does not play well with clang. force using gcc 
Aug 19 2015
3e90c3eeabdbsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13913 f3b2605a-c512-4ea7… 
Aug 19 2015
185e746ccb0dsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13908 f3b2605a-c512-4ea7… 
Aug 19 2015
071ded95fcd2sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13907 f3b2605a-c512-4ea7… 
Aug 19 2015
21f8abda248csjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13906 f3b2605a-c512-4ea7… 
Aug 19 2015
1c3e0dbfe9e7sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13904 f3b2605a-c512-4ea7… 
Aug 19 2015
55c32a2e06bbAxel Kohlmeyer
colvars update 2015-08-12 
Aug 14 2015
89df652bdaa6Axel Kohlmeyer
add custom build fedora laptop 
Aug 13 2015
83f21d479ce3Axel Kohlmeyer
convery library compression styles into "COMPRESS" package 
Aug 12 2015
c020fba2a153Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Aug 11 2015
4731f7e94a07sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13856 f3b2605a-c512-4ea7… 
Aug 10 2015
f2276c9d9f81sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13854 f3b2605a-c512-4ea7… 
Aug 10 2015
23b6b284ced2Axel Kohlmeyer
include stripped down copy of Eigen3 for USER-SMD 
Aug 7 2015
4fef3cd9f018Axel Kohlmeyer
Merge branch 'lammps-icms' of bitbucket.org:akohlmey/lammps-icms into lammps… 
Aug 6 2015
51072805199bAxel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Aug 6 2015
2f7344a02a6bsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13831 f3b2605a-c512-4ea7… 
Aug 4 2015
dc55db069cebAxel Kohlmeyer
clarify a few more things for integration of HDF5 support 
Aug 3 2015
0aa79be6a1c5Axel Kohlmeyer
adjust build system to be more consistent with LAMMPS conventions 
Aug 3 2015
9d56187805f2Axel Kohlmeyer
reduce amount of warnings printed 
Aug 3 2015
c175e7f1805bAxel Kohlmeyer
Merge branch 'start_dump_h5md' of git://github.com/pdebuyl/lammps into… 
Aug 3 2015
7e942ca0dccePierre de Buyl
mention 2015 and later debian hdf5 path 
Aug 3 2015
d0219deb6879sjplimp/Pierre de Buyl
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13670 f3b2605a-c512-4ea7… 
Aug 3 2015
ff00be0f7b3estamoor/Pierre de Buyl
Adding missing Kokkos file 
Aug 3 2015
c8c7a9112fe6sjplimp/Pierre de Buyl
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13583 f3b2605a-c512-4ea7… 
Aug 3 2015
dc8be5a687f1sjplimp/Pierre de Buyl
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13581 f3b2605a-c512-4ea7… 
Aug 3 2015
b454320b14e2sjplimp/Pierre de Buyl
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13506 f3b2605a-c512-4ea7… 
Aug 3 2015
56374182d7e9athomps/Pierre de Buyl
Describes new QUIP directory structure 
Aug 3 2015
8e1b8924c254athomps/Pierre de Buyl
Updated to new QUIP directory structure 
Aug 3 2015
2d8a03f0941bsjplimp/Pierre de Buyl
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13464 f3b2605a-c512-4ea7… 
Aug 3 2015
c1723ed658efsjplimp/Pierre de Buyl
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13445 f3b2605a-c512-4ea7… 
Aug 3 2015
acd443aa42a8sjplimp/Pierre de Buyl
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13444 f3b2605a-c512-4ea7… 
Aug 3 2015
e76e023a9561sjplimp/Pierre de Buyl
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13400 f3b2605a-c512-4ea7… 
Aug 3 2015
da3fd3bcb23bsjplimp/Pierre de Buyl
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13396 f3b2605a-c512-4ea7… 
Aug 3 2015
db2fe9d1c328athomps/Pierre de Buyl
Added one-liner for QUIP 
Aug 3 2015
444e9f3db214Axel Kohlmeyer
import GPU library update from Trung 
Aug 2 2015
6e40300d26bfsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13670 f3b2605a-c512-4ea7… 
Jul 22 2015
585a65c560feAxel Kohlmeyer
update colvars to version 2015-07-21 
Jul 21 2015
c67b0f5aa3a4Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Jul 18 2015
4e757218e43fstamoor
Adding missing Kokkos file 
Jul 17 2015
546a777f2a96Axel Kohlmeyer
avoid underflows with exponentials 
Jul 16 2015
0d27fd720de5Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Jul 15 2015
61ec2f78acb5sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13583 f3b2605a-c512-4ea7… 
Jul 14 2015
26b23a47cd8asjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13581 f3b2605a-c512-4ea7… 
Jul 14 2015
4e9e96d71398Axel Kohlmeyer
also compile voro++ executable for other uses 
Jul 7 2015
32f313c2dbbcAxel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Jul 2 2015
ade2dca6af71sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13506 f3b2605a-c512-4ea7… 
Jul 2 2015
2b605e29db7bathomps
Describes new QUIP directory structure 
Jul 1 2015
7ecae004e4eaAxel Kohlmeyer
Merge branch 'lammps-icms' of bitbucket.org:akohlmey/lammps-icms into lammps… 
Jun 29 2015
6b8b7c14a64bAxel Kohlmeyer
compile qm/mm library with -fPIC to be compatible with shared library builds 
Jun 29 2015
0b819b40d693Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Jun 27 2015
12b5742f6c7cathomps
Updated to new QUIP directory structure 
Jun 24 2015
417a56728c39Axel Kohlmeyer
more fixes for C++11 compatibility 
Jun 17 2015
d35e3291a336Axel Kohlmeyer
removed dead code and silence warnings about C++ standard violations 
Jun 17 2015
8a6f24280095Axel Kohlmeyer
fix OpenMP incompatibility when using CUDA through nvcc 
Jun 17 2015
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