update colvars makefiles
e6c421f61d9e
·Axel Kohlmeyer on Aug 13 2014, 21:24.
update colvars module from git repo.
5c41d0ef6283
·Axel Kohlmeyer on Aug 13 2014, 21:16.

Jul 2 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12169 f3b2605a-c512-4ea7…
b5d89cd7689e
·sjplimp on Jul 2 2014, 22:53.

Jul 1 2014

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
29ae4bd8dc3d
·Axel Kohlmeyer on Jul 1 2014, 18:08.

Jun 27 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12146 f3b2605a-c512-4ea7…
67ae64329e18
·sjplimp on Jun 27 2014, 19:25.

Jun 24 2014

adjust code for different neighbor list handling to support intel ocl
e0d8c669c4bf
·Axel Kohlmeyer on Jun 24 2014, 18:52.
import library part of trung's update to the GPU package with reinit support
4d4647f48711
·Axel Kohlmeyer on Jun 24 2014, 18:32.

Jun 20 2014

Pruned unnecessary libraries
8dddba111213
·athomps on Jun 20 2014, 18:46.

Jun 15 2014

Merge branch 'patch_14_06_2014' into lammps-icms
bcec3c56e45e
·Axel Kohlmeyer on Jun 15 2014, 13:25.
anticipate 14 June 2014 patch
598be75009d2
·Axel Kohlmeyer on Jun 15 2014, 13:19.
various little updates and local changes
e88b2465e783
·Axel Kohlmeyer on Jun 15 2014, 13:15.

Jun 14 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12132 f3b2605a-c512-4ea7…
2ec1442e977b
·sjplimp on Jun 14 2014, 21:34.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12128 f3b2605a-c512-4ea7…
b8f6904ce368
·sjplimp on Jun 14 2014, 00:09.

Jun 13 2014

detect and disallow using fix adapt with GPU pair styles.
fc07ea5d0f3c
·Axel Kohlmeyer on Jun 13 2014, 16:14.

Jun 4 2014

Merge remote branch 'lammps-ro/master' into lammps-icms
cbdad2a2b3d3
·Axel Kohlmeyer on Jun 4 2014, 14:16.

Jun 3 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12063 f3b2605a-c512-4ea7…
5593d42f32f3
·sjplimp on Jun 3 2014, 15:19.

Jun 2 2014

Merge remote branch 'lammps-ro/master' into lammps-kokkos
895ca766eeec
·Axel Kohlmeyer on Jun 2 2014, 10:45.

May 30 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12053 f3b2605a-c512-4ea7…
4e3bc9d059a9
·sjplimp on May 30 2014, 15:48.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12041 f3b2605a-c512-4ea7…
3cfef7320853
·sjplimp on May 30 2014, 00:52.

May 15 2014

fix makefile settings variable name bug
596099f730b3
·Axel Kohlmeyer on May 15 2014, 22:00.

May 12 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11969 f3b2605a-c512-4ea7…
d17c0325d423
·sjplimp on May 12 2014, 17:08.

May 8 2014

step version of colvars library
8c9c0ffd5330
·Axel Kohlmeyer on May 8 2014, 23:26.
merge in latest changes from upstream colvars code
9dbddf920bdd
·Axel Kohlmeyer on May 8 2014, 23:17.
update colvars library to produce no more warnings with g++ -Wall
b38cb2573ecb
·Axel Kohlmeyer on May 8 2014, 23:17.

Apr 30 2014

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
104376fcbafb
·Axel Kohlmeyer on Apr 30 2014, 12:43.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11842 f3b2605a-c512-4ea7…
99f44f64cc10
·sjplimp on Apr 30 2014, 01:10.

Apr 18 2014

update for GeForce TITAN GPU and CUDA RPM.
e83e04c92d37
·Axel Kohlmeyer on Apr 18 2014, 22:04.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11821 f3b2605a-c512-4ea7…
287db2231ad2
·sjplimp on Apr 18 2014, 16:07.

Apr 17 2014

update voro++ library to version 0.4.7 from svn repo on 2014-04-17
b928719b4872
·Axel Kohlmeyer on Apr 17 2014, 21:36.

Apr 10 2014

various little cleanups to silence compiler warnings
5fcfc9f575fc
·Axel Kohlmeyer on Apr 10 2014, 18:21.

Apr 7 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11724 f3b2605a-c512-4ea7…
018e4a29debe
·sjplimp on Apr 7 2014, 21:42.

Apr 5 2014

Merge remote branch 'lammps-ro/master' into lammps-icms
20bb47e06a1f
·Axel Kohlmeyer on Apr 5 2014, 12:58.
Updated the QM/MM library readme file to contain more detailed explanations of…
e29324f4494b
·Axel Kohlmeyer on Apr 5 2014, 11:51.

Apr 4 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11715 f3b2605a-c512-4ea7…
44b68e7651bd
·sjplimp on Apr 4 2014, 22:38.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11711 f3b2605a-c512-4ea7…
d94e1e1ac500
·sjplimp on Apr 4 2014, 22:08.

Apr 1 2014

some clarifications to QM/MM interface code
ce7397773269
·Axel Kohlmeyer on Apr 1 2014, 13:49.

Mar 25 2014

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
f80390891928
·Axel Kohlmeyer on Mar 25 2014, 16:10.

Mar 24 2014

remove code under development
374dd0901503
·rjones on Mar 24 2014, 22:07.

Mar 23 2014

adjust accelerator code to the slightly different macros for neighborlist…
4920531bac28
·Axel Kohlmeyer on Mar 23 2014, 16:49.

Mar 21 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11667 f3b2605a-c512-4ea7…
a1c872ffb48e
·pscrozi on Mar 21 2014, 21:42.
import missing file from trung
b50e2783313c
·Axel Kohlmeyer on Mar 21 2014, 15:29.
Merge remote branch 'lammps-ro/master' into lammps-icms
0f7f4a1e43d1
·Axel Kohlmeyer on Mar 21 2014, 13:58.

Mar 20 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11661 f3b2605a-c512-4ea7…
8d9e3945dd74
·sjplimp on Mar 20 2014, 16:00.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11660 f3b2605a-c512-4ea7…
67afd6fb6813
·sjplimp on Mar 20 2014, 15:50.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
430aed042a86
·Axel Kohlmeyer on Mar 20 2014, 15:50.

Mar 19 2014

Removing untested feature to fix bug affecting Windows builds
68c5f66685b2
·jzimmer on Mar 19 2014, 22:55.

Feb 17 2014

select bitness for GPU library
b07a3929d3ac
·Axel Kohlmeyer on Feb 17 2014, 17:13.

Feb 1 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11448 f3b2605a-c512-4ea7…
19e47c5264ec
·sjplimp on Feb 1 2014, 19:11.

Jan 29 2014

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
8a0787104756
·Axel Kohlmeyer on Jan 29 2014, 13:08.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11363 f3b2605a-c512-4ea7…
64138f3433a2
·sjplimp on Jan 29 2014, 01:08.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11362 f3b2605a-c512-4ea7…
1e28f6b2185c
·sjplimp on Jan 29 2014, 01:07.

Jan 27 2014

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
39b159777882
·Axel Kohlmeyer on Jan 27 2014, 03:35.

Jan 26 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11335 f3b2605a-c512-4ea7…
28194a14eb82
·sjplimp on Jan 26 2014, 00:53.

Jan 17 2014

update for new desktop installation
38ac0889296f
·Axel Kohlmeyer on Jan 17 2014, 03:08.
make gpu library compile with mikes gpu library mods
038e43c47b5d
·Axel Kohlmeyer on Jan 17 2014, 03:08.

Jan 15 2014

make code compile with the inofficial changes in place from mike brown's repo
c9fb35679a58
·Axel Kohlmeyer on Jan 15 2014, 00:54.

Jan 14 2014

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
cdbf26c64b44
·Axel Kohlmeyer on Jan 14 2014, 13:06.

Jan 13 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11231 f3b2605a-c512-4ea7…
496746e338e9
·sjplimp on Jan 13 2014, 16:52.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11230 f3b2605a-c512-4ea7…
bbffbe06a229
·sjplimp on Jan 13 2014, 16:51.

Jan 8 2014

yet another bugfix from trung to fix segfaults with gpu library
58c9dbe24f4a
·Axel Kohlmeyer on Jan 8 2014, 16:14.

Dec 16 2013

update colvars code to git version as of 2013-12-16
58c693abb681
·Axel Kohlmeyer on Dec 16 2013, 13:51.

Dec 13 2013

improved bugfix for virial/energy tallying from trung
98a0d63dc914
·Axel Kohlmeyer on Dec 13 2013, 08:41.

Dec 12 2013

include potential bugfix for gpu library from trung
b937b8979591
·Axel Kohlmeyer on Dec 12 2013, 09:28.

Oct 30 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10899 f3b2605a-c512-4ea7…
d07827a3bca5
·sjplimp on Oct 30 2013, 16:25.

Oct 24 2013

update colvars with .xyz support by jerome
b544776e5794
·Axel Kohlmeyer on Oct 24 2013, 10:13.

Oct 11 2013

add README file for qmmm lib.
1075b8356b66
·Axel Kohlmeyer on Oct 11 2013, 17:39.
update to ignore non-existing include files
2c5dc25d0548
·Axel Kohlmeyer on Oct 11 2013, 17:38.
remove unsupported files
2f8acde01773
·Axel Kohlmeyer on Oct 11 2013, 16:32.
input file cleanup
cddfed139657
·Axel Kohlmeyer on Oct 11 2013, 16:27.
include EXTRAMAKE definition
1f79cdb91370
·Axel Kohlmeyer on Oct 11 2013, 16:25.
integrate QM/MM toplevel code into the distribution
e3d406a7d6b8
·Axel Kohlmeyer on Oct 11 2013, 16:03.
import QM/MM example input for mechanical coupling
494f11d42a07
·Axel Kohlmeyer on Oct 11 2013, 16:02.
fix bug in parser for verbose flag
0aad8f682d46
·Axel Kohlmeyer on Oct 11 2013, 00:39.

Oct 10 2013

add verbose flag
5373ea31f114
·Axel Kohlmeyer on Oct 10 2013, 23:25.
include output of working directories and properly export the write API
c787e982704f
·Axel Kohlmeyer on Oct 10 2013, 19:15.
add API for writing out the configuration and handle overwriting flags cleanly
4d8913a6f7ac
·Axel Kohlmeyer on Oct 10 2013, 18:23.

Oct 6 2013

add comments to qm/mm library
c1b6c3528a6d
·Axel Kohlmeyer on Oct 6 2013, 16:32.
Merge branch 'lammps-icms' into qmmm-qe
1612350f57f3
·Axel Kohlmeyer on Oct 6 2013, 16:03.
removed unreleased files
cb73fe5a753c
·Axel Kohlmeyer on Oct 6 2013, 15:34.
geryon bugfix
97947276ac44
·Axel Kohlmeyer on Oct 6 2013, 15:28.
Removing pointer dereferencing to help with autoprefetch.
6c2590e41d85
·Axel Kohlmeyer on Oct 6 2013, 15:23.
Fixing a bug in charmm/long that would prevent the correct kernel from being…
a5a5210358d0
·Axel Kohlmeyer on Oct 6 2013, 15:19.
Fixing to ensure double precision extension enabled for PPPM with OpenCL.
c8cc95152b4d
·Axel Kohlmeyer on Oct 6 2013, 15:17.

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lammps/lib
mastera71516a2920c6131d6a79b1…