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Diffusion lammps (lammm-master) Graph

lammps/lib
lammm-master

History Graph

CommitAuthorDetailsCommitted
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
cb73fe5a753cAxel Kohlmeyer
removed unreleased files 
Oct 6 2013
97947276ac44Axel Kohlmeyer
geryon bugfix 
Oct 6 2013
6c2590e41d85Axel Kohlmeyer
Removing pointer dereferencing to help with autoprefetch. 
Oct 6 2013
a5a5210358d0Axel Kohlmeyer
Fixing a bug in charmm/long that would prevent the correct kernel from being… 
Oct 6 2013
c8cc95152b4dAxel Kohlmeyer
Fixing to ensure double precision extension enabled for PPPM with OpenCL. 
Oct 6 2013
0cff15d30c6fAxel Kohlmeyer
Adding intel tuning options for OpenCL builds. Changing 'GPU' to 'Device' in… 
Oct 6 2013
bf88f817e06fAxel Kohlmeyer
Changing opencl permissions for PPPM error flag due to some weird problem on… 
Oct 6 2013
aa20e5f8eccbAxel Kohlmeyer
Fixing permissions for OpenCL build for packed neighbor storage when using… 
Oct 6 2013
02f75869b2e5Axel Kohlmeyer
Fixing bug in OpenCL build for CPUs where "views" were used for charge and rot… 
Oct 6 2013
2c726d2de9b1Axel Kohlmeyer
put global qm/mm configuration variable into library 
Oct 2 2013
4a29c877f44aAxel Kohlmeyer
add qmmm library support 
Oct 2 2013
0bbc1aae7b3dsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10836 f3b2605a-c512-4ea7… 
Oct 1 2013
ead40dfa7ef1Axel Kohlmeyer
add sanity checks for input parameters. 
Sep 29 2013
b5deac416e84Axel Kohlmeyer
include debug info, when compiling MEAM library 
Sep 29 2013
c54da577a246Axel Kohlmeyer
add sanity checks for input parameters. 
Sep 29 2013
7a0aa94a28bfAxel Kohlmeyer
include debug info, when compiling MEAM library 
Sep 29 2013
6203761e12ccsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10823 f3b2605a-c512-4ea7… 
Sep 23 2013
f632447c4ddaAxel Kohlmeyer
need to read index files in binary mode since seeking is not reliable in text… 
Sep 19 2013
b46ddebe3eefAxel Kohlmeyer
Merge remote branch 'lammps-ro/master' into lammps-icms 
Sep 5 2013
2b9171177d50rjones
ATC version 2.0, date: Sep1 
Sep 1 2013
2c30d74d8d0dAxel Kohlmeyer
Merge remote branch 'lammps-ro/master' into lammps-icms 
Aug 29 2013
8d6d4e9289ddrjones
ATC version 2.0, date: Aug28 
Aug 29 2013
2da0db319c38Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Aug 24 2013
6bb11c07e3fasjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10680 f3b2605a-c512-4ea7… 
Aug 23 2013
205833eaadb9sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10669 f3b2605a-c512-4ea7… 
Aug 23 2013
22751a2aaef2sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10668 f3b2605a-c512-4ea7… 
Aug 23 2013
402d1a8605fdsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10667 f3b2605a-c512-4ea7… 
Aug 23 2013
1ca6fb0f8160Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Aug 23 2013
dddbef699d3erjones
ATC version 2.0, date: Aug22 
Aug 23 2013
56e627188382jzimmer
ATC version 2.0, date: Aug22 
Aug 23 2013
f93700aa195eAxel Kohlmeyer
Correct and cleanup some AtC issues 
Aug 22 2013
6297a32d9b46Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Aug 22 2013
d77ab2f96a57rjones
ATC version 2.0, date: Aug21 
Aug 22 2013
dfda591ee4b9Axel Kohlmeyer
do not include path to MPI stub lib for real MPI compile 
Aug 13 2013
3aede794af9fAxel Kohlmeyer
pair style eam may not be installed (yet) 
Aug 13 2013
1cdb01dfe3b9Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Aug 10 2013
d56c9dfd2739jzimmer
Removal of superfluous files from lib-atc repository. 
Aug 8 2013
3c17e7c07c8aAxel Kohlmeyer
fix permissions 
Aug 8 2013
c52a54587a8cAxel Kohlmeyer
some tweaks to make the parallel makefile work more smoothly 
Aug 8 2013
08a91514de84Axel Kohlmeyer
we must not version control binaries. 
Aug 8 2013
5fa5def2f97aAxel Kohlmeyer
make AtC compatible with windows cross compiles 
Aug 8 2013
b806ad5c43ebAxel Kohlmeyer
add BLAS/LAPACK files required to support AtC 2.0 
Aug 8 2013
c99c117e6e32Axel Kohlmeyer
ignore dependency files 
Aug 8 2013
6b0ec36c0d67Axel Kohlmeyer
remove unwated files 
Aug 8 2013
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