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476 Commits

Author SHA1 Message Date
Axel Kohlmeyer ecb03dd2df import lammps-netcdf code as USER-NC-DUMP package 2016-10-11 23:03:18 -04:00
Axel Kohlmeyer 683689c808 revert to previous style conventions for size_t constants 2016-10-08 11:00:23 -04:00
Axel Kohlmeyer e01e90eb96 workaround for double free issue when using USER-COLVARS with lammps code loaded as shared library into a standalone executable 2016-10-08 10:45:22 -04:00
sjplimp 54fc194e5b Merge pull request #199 from akohlmey/small-changes 
Collected small changes and bugfixes
 2016-10-06 15:49:24 -06:00
A Bartok-Partay 8ea063378e add NETCDF libs (as defined in QUIP) to the linking line if QUIP was built with NETCDF support 2016-10-06 12:16:25 +01:00
Giacomo Fiorin 8809a603fb Colvars update: issue a warning that cannot be ignored regarding total forces 2016-10-05 18:26:21 -04:00
Giacomo Fiorin 969d3cf4b0 Colvars update: make ABF check that the colvar isn't using already subtractAppliedForce 2016-10-05 18:25:40 -04:00
Axel Kohlmeyer 03766dbda7 apply bugfix for MEAM provided by Wolfgang Verestek on lammps-users 
this closes lammps/#188
 2016-10-03 16:28:59 -04:00
Axel Kohlmeyer a3e05a2bac permission cleanup 2016-10-01 06:34:45 -04:00
Axel Kohlmeyer 6d200061ca update colvars library to version 2016-09-30 2016-09-30 08:15:44 -04:00
Axel Kohlmeyer 5b2becd09b Merge branch 'integration' into new-master 2016-09-29 10:37:09 -04:00
sjplimp 484122b8b6 sync with GH 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15592 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2016-09-16 19:21:34 +00:00
Axel Kohlmeyer 9637a5b530 colvars bugfix. updates colvars library to version 2016-09-14 2016-09-15 19:44:26 -04:00
Axel Kohlmeyer 14bed44743 ignore Makefile.lammps in lib tree 2016-09-13 09:36:48 -04:00
Axel Kohlmeyer 18cacb8e1d ignore *.mod generated by fortran compilers 2016-09-13 09:36:19 -04:00
sjplimp b190abea39 sync with GH 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15561 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2016-09-08 20:20:32 +00:00
sjplimp 07e55ef61e Merge pull request #22 from akohlmey/colvars-update 
accumulated colvars library update and lib "make clean" improvement
 2016-09-08 14:14:49 -06:00
Steve Plimpton 236ebf7fab Kokkos lib update 2016-09-08 13:56:18 -06:00
Axel Kohlmeyer 3a74ccffa2 update colvars library to version 2016-09-03 
(cherry picked from commit 4181f5ac9d)
 2016-09-06 21:28:59 -04:00
Axel Kohlmeyer c8cfd53c1b adjust makefiles in lib tree, so they don't return an error exit code on "make clean" targets. 
(cherry picked from commit 4117218ca3)
 2016-09-06 21:28:55 -04:00
Axel Kohlmeyer 16607a0132 update colvars library to version 2016-08-19 
(cherry picked from commit c67326be6d)
 2016-09-06 21:27:46 -04:00
Axel Kohlmeyer 3b476d914f update colvars to version 2016-08-10 
(cherry picked from commit eba3ad9abb)
 2016-09-06 21:27:46 -04:00
Axel Kohlmeyer 977b9e542f update colvars to another set of changes from the upstream repo 
(cherry picked from commit cb816f8cba)
 2016-09-06 21:27:45 -04:00
Axel Kohlmeyer 1b33d00785 update colvars makefile dependencies 
(cherry picked from commit df99a85930)
 2016-09-06 21:27:45 -04:00
Axel Kohlmeyer 3d2e5d0a50 suppress compiler warning 
(cherry picked from commit 6f227e194e)
 2016-09-06 21:27:45 -04:00
Axel Kohlmeyer ec2a6b9f0d update colvars to version 2016-08-10 
(cherry picked from commit f2ddf828e4)
 2016-09-06 21:27:41 -04:00
Axel Kohlmeyer 77620106a4 update colvars library to version 2016-08-05 
(cherry picked from commit 459db2eb6b)

# Conflicts:
#	doc/src/PDF/colvars-refman-lammps.pdf
 2016-09-06 21:26:50 -04:00
stamoor 39be4185c4 Updating Kokkos lib 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15556 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2016-09-06 23:06:32 +00:00
stamoor 1ad033ec0c Updating Kokkos lib 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15555 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2016-09-06 23:02:50 +00:00
sjplimp 083ff54c0c small bug fixes 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15527 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2016-08-31 20:26:15 +00:00
Steve Plimpton 4051aedf2c Merge branch 'small' into integration 
Conflicts:
	src/compute_omega_chunk.cpp
 2016-08-31 13:58:12 -06:00
Steve Plimpton ec8b9e21db sync with SVN 2016-08-31 13:28:26 -06:00
stamoor dbaaf4dbbd Removing aggressive_vectorization flag due to safety issue 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15521 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2016-08-30 17:52:49 +00:00
Axel Kohlmeyer 493613b495 avoid NaNs in MEAM 2016-08-30 06:54:36 -04:00
Steve Plimpton 2beecd1e73 removal of doc/html/_sources and minor sync with SVN 2016-08-26 11:34:37 -06:00
stamoor cc4b2dd6ed Changing default 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15503 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2016-08-26 15:50:25 +00:00
Steve Plimpton abc5a32c8a gpu lib sync 2016-08-23 15:30:01 -06:00
sjplimp efaa84a4ea git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15430 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-08-03 19:32:03 +00:00
sjplimp b8bf3ae5b0 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15391 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-07-29 14:24:21 +00:00
sjplimp ee24be38cb git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15371 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-07-27 14:09:42 +00:00
sjplimp e6dc896b49 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15327 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-07-15 23:02:09 +00:00
sjplimp 638b0db535 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15322 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-07-15 22:40:38 +00:00
sjplimp c79a24c7ef git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15320 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-07-15 22:38:58 +00:00
sjplimp 12f3178e86 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15319 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-07-15 22:38:42 +00:00
sjplimp 05398a6863 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15315 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-07-15 22:25:17 +00:00
sjplimp 65c1e16401 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15268 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-07-06 23:26:44 +00:00
sjplimp fd27214f7d git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15267 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-07-06 23:26:27 +00:00
sjplimp 34f829c5ac git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15261 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-07-05 14:41:13 +00:00
sjplimp a99c922a14 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15249 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-07-01 23:29:38 +00:00
sjplimp 9656958169 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15248 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-07-01 23:27:26 +00:00
sjplimp 2fcd26f6c4 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15200 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-06-17 23:07:51 +00:00
sjplimp e5fb28a6a0 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15199 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-06-17 23:07:24 +00:00
sjplimp 328224a298 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15181 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-06-16 15:44:41 +00:00
sjplimp a4b82a95e9 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15162 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-06-14 13:58:49 +00:00
sjplimp e653da12a6 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15095 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-06-02 14:03:00 +00:00
sjplimp dfb0f528c0 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15038 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-05-12 13:52:42 +00:00
sjplimp bf3187d764 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14938 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-05-06 14:20:38 +00:00
stamoor 48d65b7fef Enabling new kokkos view 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14935 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2016-05-03 16:24:08 +00:00
sjplimp 91447edb58 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14928 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-05-03 16:11:34 +00:00
stamoor 33ce33ce36 Reverting back to old kokkos view 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14921 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2016-05-02 23:40:38 +00:00
stamoor fda492ea48 Updating kokkos lib 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14919 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2016-05-02 22:10:37 +00:00
stamoor 0a1b765248 Updating kokkos lib 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14918 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2016-05-02 22:06:50 +00:00
sjplimp 00f38fdaf0 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14910 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-04-30 18:06:25 +00:00
sjplimp 17fd5898df git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14900 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-04-28 14:48:56 +00:00
sjplimp 98ed24437d git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14875 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-04-26 18:28:26 +00:00
sjplimp 184d5dc0f0 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14867 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-04-22 17:51:49 +00:00
sjplimp 44ca843073 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14841 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-04-18 14:00:58 +00:00
sjplimp a4e8eaaf4d git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14833 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-04-15 16:16:52 +00:00
sjplimp f50b03fcab git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14830 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-04-15 16:07:28 +00:00
sjplimp 212a955285 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14829 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-04-15 16:07:01 +00:00
sjplimp ef7e119c86 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14824 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-04-14 14:42:56 +00:00
sjplimp c46d973c2b git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14823 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-04-13 22:25:46 +00:00
sjplimp 008896a77d git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14808 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-04-07 21:10:37 +00:00
sjplimp 67a4004f23 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14807 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-04-07 21:05:19 +00:00
sjplimp 0528cde331 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14783 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-03-22 14:29:41 +00:00
sjplimp acc29ff266 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14778 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-03-22 13:44:55 +00:00
sjplimp 361ed36bed git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14775 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-03-22 13:43:01 +00:00
sjplimp edb3f9559c git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14758 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-03-21 16:10:48 +00:00
sjplimp ad3c57cb63 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14746 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-03-14 18:45:25 +00:00
sjplimp 9d64c50cd0 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14709 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-03-01 20:47:13 +00:00
sjplimp 20beaccf0f git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14703 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-03-01 20:40:25 +00:00
sjplimp 756480ba64 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14701 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-03-01 20:39:41 +00:00
sjplimp 08b53bb709 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14657 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-02-18 22:31:59 +00:00
sjplimp 52ca6416a0 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14632 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-02-15 22:34:20 +00:00
sjplimp cd14e4314d git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14593 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-02-15 15:32:27 +00:00
stamoor b355fa25f4 Squelching annoying kokkos output 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14508 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2016-01-28 21:07:07 +00:00
stamoor 0541d52c17 Fixing Kokkos bug 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14504 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2016-01-26 23:49:57 +00:00
sjplimp b5a1ba9bfa git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14371 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-12-15 22:29:37 +00:00
sjplimp 06a217aa08 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14370 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-12-15 22:26:37 +00:00
athomps 88f58beb97 Added latest changes from Albert Bartok 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14274 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2015-11-24 16:26:24 +00:00
sjplimp f6c76f4623 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14265 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-11-18 18:23:45 +00:00
sjplimp 449f373db5 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14165 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-10-22 22:08:30 +00:00
sjplimp 61649b57d0 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14075 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-09-24 22:52:20 +00:00
sjplimp 44c8bb9cbf git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14060 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-09-24 20:23:56 +00:00
sjplimp 6f39a0a78d git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14059 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-09-24 20:23:37 +00:00
stamoor cb971f0166 Kokkos bugfix 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14051 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2015-09-23 18:10:39 +00:00
sjplimp 942cce877b git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14004 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-09-08 23:38:11 +00:00
sjplimp c7303a1c1d git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14001 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-09-08 14:13:03 +00:00
sjplimp ae980d6fd1 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13986 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-09-02 20:41:38 +00:00
sjplimp 0f3d77ed75 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13950 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-08-28 23:35:43 +00:00