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Diffusion lammps (master) Graph

lammps/lib
master

History Graph

CommitAuthorDetailsCommitted
c6a1747998beAxel Kohlmeyer
add compatibility symlink for rpm build 
Sep 26 2014
c3f3603eb618Axel Kohlmeyer
small updates for GPU library makefiles 
Sep 26 2014
190974a167baAxel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Sep 25 2014
159d82e4730asjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12527 f3b2605a-c512-4ea7… 
Sep 23 2014
4a95b0047713sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12496 f3b2605a-c512-4ea7… 
Sep 11 2014
6483c7344a07Axel Kohlmeyer
add makefile using clang to AtC for better code review 
Sep 6 2014
d12eca24b839Axel Kohlmeyer
Merge remote branch 'lammps-ro/master' into lammps-icms 
Sep 6 2014
68d424d3fc79sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12404 f3b2605a-c512-4ea7… 
Sep 5 2014
4469e4e4070fAxel Kohlmeyer
Merge remote branch 'lammps-ro/master' into lammps-icms 
Sep 5 2014
451d5c04efabsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12403 f3b2605a-c512-4ea7… 
Sep 4 2014
af4909ab5130sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12399 f3b2605a-c512-4ea7… 
Sep 4 2014
37ab2751d182sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12398 f3b2605a-c512-4ea7… 
Sep 4 2014
ded64a9e0341Axel Kohlmeyer
update cross compiling makefiles 
Sep 3 2014
b0ea40412252Axel Kohlmeyer
use faster math exp() in meam library code. 10x faster with GNU. 
Sep 1 2014
8277217db6d2Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Aug 28 2014
b2740c77d6basjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12375 f3b2605a-c512-4ea7… 
Aug 27 2014
048a267b9fc9sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12370 f3b2605a-c512-4ea7… 
Aug 27 2014
222d9ee151b6sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12369 f3b2605a-c512-4ea7… 
Aug 27 2014
26fe85211bafsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12367 f3b2605a-c512-4ea7… 
Aug 27 2014
7387b0cc62e4sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12366 f3b2605a-c512-4ea7… 
Aug 27 2014
b69be175f03asjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12326 f3b2605a-c512-4ea7… 
Aug 15 2014
e3824e933216sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12325 f3b2605a-c512-4ea7… 
Aug 15 2014
e6c421f61d9eAxel Kohlmeyer
update colvars makefiles 
Aug 13 2014
5c41d0ef6283Axel Kohlmeyer
update colvars module from git repo. 
Aug 13 2014
b5d89cd7689esjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12169 f3b2605a-c512-4ea7… 
Jul 2 2014
29ae4bd8dc3dAxel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Jul 1 2014
67ae64329e18sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12146 f3b2605a-c512-4ea7… 
Jun 27 2014
e0d8c669c4bfAxel Kohlmeyer
adjust code for different neighbor list handling to support intel ocl 
Jun 24 2014
4d4647f48711Axel Kohlmeyer
import library part of trung's update to the GPU package with reinit support 
Jun 24 2014
8dddba111213athomps
Pruned unnecessary libraries 
Jun 20 2014
bcec3c56e45eAxel Kohlmeyer
Merge branch 'patch_14_06_2014' into lammps-icms 
Jun 15 2014
598be75009d2Axel Kohlmeyer
anticipate 14 June 2014 patch 
Jun 15 2014
e88b2465e783Axel Kohlmeyer
various little updates and local changes 
Jun 15 2014
2ec1442e977bsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12132 f3b2605a-c512-4ea7… 
Jun 14 2014
b8f6904ce368sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12128 f3b2605a-c512-4ea7… 
Jun 14 2014
fc07ea5d0f3cAxel Kohlmeyer
detect and disallow using fix adapt with GPU pair styles. 
Jun 13 2014
cbdad2a2b3d3Axel Kohlmeyer
Merge remote branch 'lammps-ro/master' into lammps-icms 
Jun 4 2014
5593d42f32f3sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12063 f3b2605a-c512-4ea7… 
Jun 3 2014
895ca766eeecAxel Kohlmeyer
Merge remote branch 'lammps-ro/master' into lammps-kokkos 
Jun 2 2014
4e3bc9d059a9sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12053 f3b2605a-c512-4ea7… 
May 30 2014
3cfef7320853sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12041 f3b2605a-c512-4ea7… 
May 30 2014
596099f730b3Axel Kohlmeyer
fix makefile settings variable name bug 
May 15 2014
d17c0325d423sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11969 f3b2605a-c512-4ea7… 
May 12 2014
8c9c0ffd5330Axel Kohlmeyer
step version of colvars library 
May 8 2014
9dbddf920bddAxel Kohlmeyer
merge in latest changes from upstream colvars code 
May 8 2014
b38cb2573ecbAxel Kohlmeyer
update colvars library to produce no more warnings with g++ -Wall 
May 8 2014
104376fcbafbAxel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Apr 30 2014
99f44f64cc10sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11842 f3b2605a-c512-4ea7… 
Apr 30 2014
e83e04c92d37Axel Kohlmeyer
update for GeForce TITAN GPU and CUDA RPM. 
Apr 18 2014
287db2231ad2sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11821 f3b2605a-c512-4ea7… 
Apr 18 2014
b928719b4872Axel Kohlmeyer
update voro++ library to version 0.4.7 from svn repo on 2014-04-17 
Apr 17 2014
5fcfc9f575fcAxel Kohlmeyer
various little cleanups to silence compiler warnings 
Apr 10 2014
018e4a29debesjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11724 f3b2605a-c512-4ea7… 
Apr 7 2014
20bb47e06a1fAxel Kohlmeyer
Merge remote branch 'lammps-ro/master' into lammps-icms 
Apr 5 2014
e29324f4494bAxel Kohlmeyer
Updated the QM/MM library readme file to contain more detailed explanations of… 
Apr 5 2014
44b68e7651bdsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11715 f3b2605a-c512-4ea7… 
Apr 4 2014
d94e1e1ac500sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11711 f3b2605a-c512-4ea7… 
Apr 4 2014
ce7397773269Axel Kohlmeyer
some clarifications to QM/MM interface code 
Apr 1 2014
f80390891928Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Mar 25 2014
374dd0901503rjones
remove code under development 
Mar 24 2014
4920531bac28Axel Kohlmeyer
adjust accelerator code to the slightly different macros for neighborlist… 
Mar 23 2014
a1c872ffb48epscrozi
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11667 f3b2605a-c512-4ea7… 
Mar 21 2014
b50e2783313cAxel Kohlmeyer
import missing file from trung 
Mar 21 2014
0f7f4a1e43d1Axel Kohlmeyer
Merge remote branch 'lammps-ro/master' into lammps-icms 
Mar 21 2014
8d9e3945dd74sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11661 f3b2605a-c512-4ea7… 
Mar 20 2014
67afd6fb6813sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11660 f3b2605a-c512-4ea7… 
Mar 20 2014
430aed042a86Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Mar 20 2014
68c5f66685b2jzimmer
Removing untested feature to fix bug affecting Windows builds 
Mar 19 2014
b07a3929d3acAxel Kohlmeyer
select bitness for GPU library 
Feb 17 2014
19e47c5264ecsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11448 f3b2605a-c512-4ea7… 
Feb 1 2014
8a0787104756Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Jan 29 2014
64138f3433a2sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11363 f3b2605a-c512-4ea7… 
Jan 29 2014
1e28f6b2185csjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11362 f3b2605a-c512-4ea7… 
Jan 29 2014
39b159777882Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Jan 27 2014
28194a14eb82sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11335 f3b2605a-c512-4ea7… 
Jan 26 2014
38ac0889296fAxel Kohlmeyer
update for new desktop installation 
Jan 17 2014
038e43c47b5dAxel Kohlmeyer
make gpu library compile with mikes gpu library mods 
Jan 17 2014
c9fb35679a58Axel Kohlmeyer
make code compile with the inofficial changes in place from mike brown's repo 
Jan 15 2014
cdbf26c64b44Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Jan 14 2014
496746e338e9sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11231 f3b2605a-c512-4ea7… 
Jan 13 2014
bbffbe06a229sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11230 f3b2605a-c512-4ea7… 
Jan 13 2014
58c9dbe24f4aAxel Kohlmeyer
yet another bugfix from trung to fix segfaults with gpu library 
Jan 8 2014
58c693abb681Axel Kohlmeyer
update colvars code to git version as of 2013-12-16 
Dec 16 2013
98a0d63dc914Axel Kohlmeyer
improved bugfix for virial/energy tallying from trung 
Dec 13 2013
b937b8979591Axel Kohlmeyer
include potential bugfix for gpu library from trung 
Dec 12 2013
d07827a3bca5sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10899 f3b2605a-c512-4ea7… 
Oct 30 2013
b544776e5794Axel Kohlmeyer
update colvars with .xyz support by jerome 
Oct 24 2013
1075b8356b66Axel Kohlmeyer
add README file for qmmm lib. 
Oct 11 2013
2c5dc25d0548Axel Kohlmeyer
update to ignore non-existing include files 
Oct 11 2013
2f8acde01773Axel Kohlmeyer
remove unsupported files 
Oct 11 2013
cddfed139657Axel Kohlmeyer
input file cleanup 
Oct 11 2013
1f79cdb91370Axel Kohlmeyer
include EXTRAMAKE definition 
Oct 11 2013
e3d406a7d6b8Axel Kohlmeyer
integrate QM/MM toplevel code into the distribution 
Oct 11 2013
494f11d42a07Axel Kohlmeyer
import QM/MM example input for mechanical coupling 
Oct 11 2013
0aad8f682d46Axel Kohlmeyer
fix bug in parser for verbose flag 
Oct 11 2013
5373ea31f114Axel Kohlmeyer
add verbose flag 
Oct 10 2013
c787e982704fAxel Kohlmeyer
include output of working directories and properly export the write API 
Oct 10 2013
4d8913a6f7acAxel Kohlmeyer
add API for writing out the configuration and handle overwriting flags cleanly 
Oct 10 2013
c1b6c3528a6dAxel Kohlmeyer
add comments to qm/mm library 
Oct 6 2013
1612350f57f3Axel Kohlmeyer
Merge branch 'lammps-icms' into qmmm-qe 
Oct 6 2013
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