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Diffusion lammps (master) Graph

lammps/lib
master

History Graph

CommitAuthorDetailsCommitted
5c1d17d1c031Stan Moore
Updating Kokkos lib to v2.03.05 
Jun 8 2017
f8af7edf927bRichard Berger
Merge remote-tracking branch 'upstream/master' into python_refactoring 
May 6 2017
fbddfe2729a2sjplimp/GitHub
Merge pull request #455 from stanmoore1/kokkos_update 
May 4 2017
dcc5472cba99sjplimp/GitHub
Merge pull request #452 from akohlmey/small-fixes-and-updates 
May 4 2017
addd87c0f7a4Steve Plimpton
new Section package and start doc pages and build scripts 
May 4 2017
b8cb80b219b8Axel Kohlmeyer
rename files in GPU library from cg_cmm to lj_sdk 
Apr 27 2017
cd435c0c58feAxel Kohlmeyer
change references from cg_cmm to lj_sdk and from cmm to sdk 
Apr 27 2017
cc6104aeaf32Stan Moore
Merge branch 'master' into kokkos_update 
Apr 25 2017
8910ec6e594cStan Moore
Updating Kokkos lib to 2.03.00 
Apr 25 2017
25e8ed63a236Axel Kohlmeyer
whitespace cleanup in VMD plugin headers 
Apr 18 2017
dee353614420Axel Kohlmeyer
update VMD molfile plugin headers and move them to lib/molfile (where they… 
Apr 18 2017
3cbf4f3b5812Axel Kohlmeyer
correct logic bug in else branch of the conditional 
Apr 14 2017
6c2dd7ebb17cAxel Kohlmeyer
pass the name of the python interpreter compatible with the python package to… 
Apr 14 2017
9a027a01daf8Richard Berger
Add Python 3 compatibility to PYTHON package 
Apr 12 2017
49dd9449b875Steve Plimpton
fix gcmc updates from Aidan, trimming of output for replica commands 
Apr 11 2017
5fe620663813Giacomo Fiorin
Update Colvars module to version 2017-03-10 
Mar 10 2017
e261bef7bba7Richard Berger
Spelling fixes in source files 
Mar 6 2017
90e5ae965d7fStan Moore
Add missing flags to Kokkos Makefile 
Feb 13 2017
33af7ab24874Stan Moore
Remove merge line 
Feb 13 2017
8f9b2aca06e7Stan Moore
Removing unused files in Kokkos lib 
Feb 13 2017
383da816c221Stan Moore
Updating Kokkos lib 
Feb 13 2017
d8bc590aaf1fsjplimp/GitHub
Merge pull request #327 from stanmoore1/kokkos_lib_update 
Jan 17 2017
7162cafdf5a5Stan Moore
Squelching output from Makefile 
Jan 10 2017
ee9e7cfbd5e3Stan Moore
Fixing Kokkos CUDA Makefile issue 
Jan 10 2017
7839c335da14Stan Moore
Fixing compile error with Kokkos CUDA Makefiles 
Jan 10 2017
c31f1e9f2252Steve Plimpton
add fix mscg command, example, lib 
Jan 9 2017
9250a55923caStan Moore
Adding enable_lambda to KOKKOS_CUDA_OPTIONS 
Jan 9 2017
a9f0b7d523faStan Moore
Updating Kokkos lib 
Jan 9 2017
b0263e87bbaaGiacomo Fiorin
Fix missing force with extended-Lagrangian mass 
Dec 27 2016
f553e230dbcbGiacomo Fiorin
Update Colvars library to version 2016-12-22 
Dec 27 2016
6ab716164b43Giacomo Fiorin
Fix seg fault for gyration collective variable 
Dec 27 2016
7a45c72b9735Giacomo Fiorin
Allow extended Lagrangian on non-scalar collective variables 
Dec 27 2016
182141b85005Giacomo Fiorin
Make SMP parallelism for Colvars optional 
Oct 24 2016
e02505c8cc33Giacomo Fiorin
Add ensemble-biased metadynamics (Fabrizio Marinelli, NIH) 
Oct 24 2016
be2d155cef25Giacomo Fiorin
Minor changes and fixes not relevant to LAMMPS 
Oct 24 2016
c2430939809eGiacomo Fiorin
Fix wall forces and subtractAppliedForce for extended-Lagrangian ABF 
Oct 24 2016
ad57a17f48c8Giacomo Fiorin
Add C-linkage wrapper for colvarscript (useful with ctypes) 
Oct 24 2016
019bc0ba0be2Axel Kohlmeyer
fix typos in Makefile.lammps for NetCDF support 
Oct 19 2016
27796b431ee5Axel Kohlmeyer
avoid distracting error output 
Oct 18 2016
2b47fa66533eAxel Kohlmeyer
update Makefile.lammps and add README according to suggestions by lars pastewka 
Oct 18 2016
4502d3276be4Axel Kohlmeyer
updated Makefile.lammps for NetCDF support based on suggestions from lars… 
Oct 18 2016
ecb03dd2dfdaAxel Kohlmeyer
import lammps-netcdf code as USER-NC-DUMP package 
Oct 12 2016
683689c80807Axel Kohlmeyer
revert to previous style conventions for size_t constants 
Oct 8 2016
e01e90eb965cAxel Kohlmeyer
workaround for double free issue when using USER-COLVARS with lammps code… 
Oct 8 2016
54fc194e5b33sjplimp/GitHub
Merge pull request #199 from akohlmey/small-changes 
Oct 6 2016
8ea063378eacA Bartok-Partay
add NETCDF libs (as defined in QUIP) to the linking line if QUIP was built with… 
Oct 6 2016
8809a603fb2dGiacomo Fiorin
Colvars update: issue a warning that cannot be ignored regarding total forces 
Oct 6 2016
969d3cf4b0c4Giacomo Fiorin
Colvars update: make ABF check that the colvar isn't using already… 
Oct 6 2016
03766dbda76fAxel Kohlmeyer
apply bugfix for MEAM provided by Wolfgang Verestek on lammps-users 
Oct 3 2016
a3e05a2bac7dAxel Kohlmeyer
permission cleanup 
Oct 1 2016
6d200061ca64Axel Kohlmeyer
update colvars library to version 2016-09-30 
Sep 30 2016
5b2becd09b97Axel Kohlmeyer
Merge branch 'integration' into new-master 
Sep 29 2016
484122b8b610sjplimp
sync with GH 
Sep 16 2016
9637a5b5306fAxel Kohlmeyer
colvars bugfix. updates colvars library to version 2016-09-14 
Sep 16 2016
14bed44743d6Axel Kohlmeyer
ignore Makefile.lammps in lib tree 
Sep 13 2016
18cacb8e1dabAxel Kohlmeyer
ignore *.mod generated by fortran compilers 
Sep 13 2016
b190abea390esjplimp
sync with GH 
Sep 8 2016
07e55ef61e7dsjplimp/GitHub
Merge pull request #22 from akohlmey/colvars-update 
Sep 8 2016
236ebf7fabbbSteve Plimpton
Kokkos lib update 
Sep 8 2016
3a74ccffa2edAxel Kohlmeyer
update colvars library to version 2016-09-03 
Sep 7 2016
c8cfd53c1b86Axel Kohlmeyer
adjust makefiles in lib tree, so they don't return an error exit code on "make… 
Sep 7 2016
16607a0132d5Axel Kohlmeyer
update colvars library to version 2016-08-19 
Sep 7 2016
3b476d914f5eAxel Kohlmeyer
update colvars to version 2016-08-10 
Sep 7 2016
977b9e542f5dAxel Kohlmeyer
update colvars to another set of changes from the upstream repo 
Sep 7 2016
1b33d00785b9Axel Kohlmeyer
update colvars makefile dependencies 
Sep 7 2016
3d2e5d0a5031Axel Kohlmeyer
suppress compiler warning 
Sep 7 2016
ec2a6b9f0de3Axel Kohlmeyer
update colvars to version 2016-08-10 
Sep 7 2016
77620106a43eAxel Kohlmeyer
update colvars library to version 2016-08-05 
Sep 7 2016
39be4185c40bstamoor
Updating Kokkos lib 
Sep 7 2016
1ad033ec0c71stamoor
Updating Kokkos lib 
Sep 7 2016
083ff54c0c51sjplimp
small bug fixes 
Aug 31 2016
4051aedf2c78Steve Plimpton
Merge branch 'small' into integration 
Aug 31 2016
ec8b9e21dbb4Steve Plimpton
sync with SVN 
Aug 31 2016
dbaaf4dbbdb6stamoor
Removing aggressive_vectorization flag due to safety issue 
Aug 30 2016
493613b49549Axel Kohlmeyer
avoid NaNs in MEAM 
Aug 30 2016
2beecd1e7351Steve Plimpton
removal of doc/html/_sources and minor sync with SVN 
Aug 26 2016
cc4b2dd6ede6stamoor
Changing default 
Aug 26 2016
abc5a32c8a4bSteve Plimpton
gpu lib sync 
Aug 23 2016
efaa84a4eab8sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15430 f3b2605a-c512-4ea7… 
Aug 3 2016
b8bf3ae5b0d7sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15391 f3b2605a-c512-4ea7… 
Jul 29 2016
ee24be38cbc3sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15371 f3b2605a-c512-4ea7… 
Jul 27 2016
e6dc896b4979sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15327 f3b2605a-c512-4ea7… 
Jul 16 2016
638b0db5359esjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15322 f3b2605a-c512-4ea7… 
Jul 16 2016
c79a24c7ef7asjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15320 f3b2605a-c512-4ea7… 
Jul 16 2016
12f3178e868dsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15319 f3b2605a-c512-4ea7… 
Jul 16 2016
05398a68637asjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15315 f3b2605a-c512-4ea7… 
Jul 16 2016
65c1e1640108sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15268 f3b2605a-c512-4ea7… 
Jul 7 2016
fd27214f7d38sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15267 f3b2605a-c512-4ea7… 
Jul 7 2016
34f829c5acc3sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15261 f3b2605a-c512-4ea7… 
Jul 5 2016
a99c922a14c6sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15249 f3b2605a-c512-4ea7… 
Jul 2 2016
9656958169dfsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15248 f3b2605a-c512-4ea7… 
Jul 2 2016
2fcd26f6c41bsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15200 f3b2605a-c512-4ea7… 
Jun 18 2016
e5fb28a6a092sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15199 f3b2605a-c512-4ea7… 
Jun 18 2016
328224a2985csjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15181 f3b2605a-c512-4ea7… 
Jun 16 2016
a4b82a95e9ecsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15162 f3b2605a-c512-4ea7… 
Jun 14 2016
e653da12a6a5sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15095 f3b2605a-c512-4ea7… 
Jun 2 2016
dfb0f528c09asjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15038 f3b2605a-c512-4ea7… 
May 12 2016
bf3187d764f8sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14938 f3b2605a-c512-4ea7… 
May 6 2016
48d65b7fef8cstamoor
Enabling new kokkos view 
May 3 2016
91447edb5839sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14928 f3b2605a-c512-4ea7… 
May 3 2016
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