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Diffusion lammps (master) Graph

lammps/lib
master

History Graph

CommitAuthorDetailsCommitted
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
4704ced070e9jzimmer
Updating libatc Makefiles to use only current version *.h and *.cpp files. 
Aug 8 2013
c931a450c093Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into atc-merge 
Aug 8 2013
7855ef6ddac4rjones
ATC version 2.0, date: Aug7 
Aug 7 2013
0e4d1e6b2274rjones
ATC version 2.0, date: Aug7 
Aug 7 2013
9adfd0cac12fsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10519 f3b2605a-c512-4ea7… 
Aug 2 2013
a6ceede04a36Axel Kohlmeyer
implement a more portable version of the the clock_gettime workaround 
Aug 1 2013
c7e503985706sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10425 f3b2605a-c512-4ea7… 
Jul 26 2013
d65b922bb287sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10415 f3b2605a-c512-4ea7… 
Jul 26 2013
1a4bead19080sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10414 f3b2605a-c512-4ea7… 
Jul 26 2013
434c695e3927Axel Kohlmeyer
re-instate Makefile.lammps 
Jul 26 2013
e6f6722365f3Axel Kohlmeyer
make USER-CUDA compile with current LAMMPS-ICMS 
Jul 26 2013
b0007d45b732sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10199 f3b2605a-c512-4ea7… 
Jun 29 2013
e954b14d996fsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10198 f3b2605a-c512-4ea7… 
Jun 29 2013
c7183e199aadAxel Kohlmeyer
Merge remote branch 'lammps-ro/master' into lammps-icms 
Jun 29 2013
1cda7f63aaa0sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10166 f3b2605a-c512-4ea7… 
Jun 28 2013
bfbe995a9cc0sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10165 f3b2605a-c512-4ea7… 
Jun 28 2013
c3c4b7450496Axel Kohlmeyer
add final EOL character 
Jun 28 2013
1c337c837cacAxel Kohlmeyer
permission cleanup 
Jun 28 2013
2b1e3a30bd1aAxel Kohlmeyer
Merge remote branch 'lammps-ro/master' into lammps-icms 
Jun 28 2013
7b2f24f05129Axel Kohlmeyer
yet another path fix for x-compile. 
Jun 28 2013
e801cc0f392cAxel Kohlmeyer
one more time 
Jun 28 2013
2020a3abbb86Axel Kohlmeyer
two more paths need to be corrected 
Jun 28 2013
016dac9c1136Axel Kohlmeyer
update gpu tool makefile for changed paths 
Jun 28 2013
6c4e44ad0d2fAxel Kohlmeyer
correct path to MPICH mpi library 
Jun 28 2013
8dc2a751a0e5Axel Kohlmeyer
makefiles for building the GPU library 
Jun 28 2013
7e0fef793d15Axel Kohlmeyer
updates for compiling LAMMPS on windows with OpenCL support 
Jun 28 2013
6dc244769531sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10119 f3b2605a-c512-4ea7… 
Jun 28 2013
4da20dce992fsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10118 f3b2605a-c512-4ea7… 
Jun 28 2013
a5d55a6f764aAxel Kohlmeyer
documentation update for colvars 
Jun 27 2013
8b031ab60933sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10099 f3b2605a-c512-4ea7… 
Jun 27 2013
f5bec5011a76Axel Kohlmeyer
port to current mingw package 
Jun 27 2013
eee639db2fb4Axel Kohlmeyer
start of setting up building the gpu library 
Jun 26 2013
50a03de73b05Axel Kohlmeyer
remove outdated msm gpu library code 
Jun 26 2013
fb8e8d064662Axel Kohlmeyer
try to handle dependency generation for AtC better 
Jun 25 2013
d45dd25ce646Axel Kohlmeyer
add wrapper makefiles that allow to use non-MPI libraries and makefiles 
Jun 25 2013
98b8a2c4f744Axel Kohlmeyer
add MPI support for AtC library 
Jun 25 2013
c9a59e36f9faAxel Kohlmeyer
handle adjustable storage sizes correctly 
Jun 25 2013
865b3d696bbbAxel Kohlmeyer
cross compilation support in AtC 
Jun 25 2013
2e5f2ba1e84eAxel Kohlmeyer
port AWPMD to cross compilation with mingw 
Jun 25 2013
0024e1afc3a9Axel Kohlmeyer
import changes from colvars repo 
Jun 23 2013
6f48ddb24fb1Axel Kohlmeyer
provide meaningful log message when re-initializing masses 
Jun 19 2013
7d444dcb714bAxel Kohlmeyer
more changes to support late initialization of masses 
Jun 19 2013
5a7dd0e74e1cAxel Kohlmeyer
import colvar module changes that allow resetting masses 
Jun 18 2013
9eeccbfffbadAxel Kohlmeyer
update for building lib/meam with mingw cross compilers 
Jun 14 2013
601856713494Axel Kohlmeyer
tweak to colvarmodule output 
Jun 14 2013
8cd52ce9a9acAxel Kohlmeyer
update colvars library 
Jun 13 2013
0b32ec3147deAxel Kohlmeyer
remove comment within comment 
Jun 11 2013
0567f76d4c67Axel Kohlmeyer
small updates/corrections from giacomo 
Jun 11 2013
e03889338515Axel Kohlmeyer
whitespace fixes in colvars library 
Jun 10 2013
df0dcfd99bfbAxel Kohlmeyer
avoid spurious error on clean target 
Jun 9 2013
73452096d683Axel Kohlmeyer
fix compile error 
Jun 9 2013
e240e15c4d5fAxel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Jun 9 2013
3e5c7ae60f03sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10053 f3b2605a-c512-4ea7… 
Jun 8 2013
3d664382ae72Axel Kohlmeyer
update version number 
Jun 7 2013
df08be2f013fAxel Kohlmeyer
update colvars library from github repo 
Jun 7 2013
916211df3370Axel Kohlmeyer
updated the README with github URLs 
Jun 7 2013
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