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Diffusion lammps (master) Graph

lammps/lib
master

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CommitAuthorDetailsCommitted
7227bc415d00sjplimp/GitHub
Merge pull request #526 from andeplane/vashishta_gpu 
Jun 15 2017
d7646aeeed78Anders Hafreager
Fixed opencl error 
Jun 14 2017
5f9341813ddfAnders Hafreager
Removed debug output 
Jun 14 2017
8441307185f1Anders Hafreager
Removed non-general CUDA-dir in makefile 
Jun 14 2017
720af5c3607fAnders Hafreager
Added vashishta to OpenCL makefile 
Jun 14 2017
eeff0b863323Anders Hafreager
Added vashishta GPU package for NVidia 
Jun 14 2017
0ecdb998856bAxel Kohlmeyer
fix uninitialized data access as reported by @martok in #174 
Jun 8 2017
00ce15d043faStan Moore
Remove tpls dir 
Jun 8 2017
5c1d17d1c031Stan Moore
Updating Kokkos lib to v2.03.05 
Jun 8 2017
2cf83d9fca6eStan Moore
Updating from master to 19May17 
May 25 2017
98713680ec1bChristian Negre
added alternative linking line for intel mkl 
May 17 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
17c8e695a422Tim Mattox
Merge branch 'master' into USER-DPD_kokkos as of patch 10 Mar 2017 
Mar 11 2017
5fe620663813Giacomo Fiorin
Update Colvars module to version 2017-03-10 
Mar 10 2017
3298c379821dChristian Negre
Makefile.lammps.gfortran for latte 
Mar 9 2017
de2730522733Stan Moore
Merge branch 'master' of https://github.com/lammps/lammps into USER-DPD_kokkos 
Mar 7 2017
e261bef7bba7Richard Berger
Spelling fixes in source files 
Mar 6 2017
641bf72f2030Tim Mattox
lib kokkos: Enable deterministic use of Random_XorShift*_Pool. Add support for… 
Mar 1 2017
6e26358ec3eaTim Mattox
lib kokkos bugfix: on a CUDA host, the random state wasn't preserved. 
Mar 1 2017
2dcbc805ba62Christian Negre
min latte partially fixed 
Feb 24 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
6d47cf350c52Christian Negre
Makefile for latte_dev 
Jan 19 2017
d8bc590aaf1fsjplimp/GitHub
Merge pull request #327 from stanmoore1/kokkos_lib_update 
Jan 17 2017
aaa7dca21bfaChristian Negre
Makefile.lammps.gfortran 
Jan 13 2017
6bd17be454d2Christian Negre
Makefile.lammps.gfortran 
Jan 13 2017
f51ddf8450a0Christian Negre
Makefile.lammps.gfortran 
Jan 12 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
1f6cfb1b3179Christian Negre
Makefile.lammps.gfortran changed 
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
967cdd947ef9Christian Negre
cleanup 
Jan 5 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
fe99fc287d2fChristian Negre
changes in fix_latte 
Nov 28 2016
f040f15218d2Christian Negre
changes in latte makefile for lattelib and README 
Nov 15 2016
f3d6ecf07be3Christian Negre
changes for lattelib 
Nov 14 2016
6f23f6535ce0Steve Plimpton
initial dummy version of fix_latte.cpp 
Nov 9 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
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