Diffusion lammps (lammps-icms) History

lammps/lib
lammps-icmsa6b7299ddc2b996353886ec…

Mar 25 2012

update build system
ebfba1ea654b
·Axel Kohlmeyer on Mar 25 2012, 01:39.
update colvars library from svn archive
cc0f97415170
·Axel Kohlmeyer on Mar 25 2012, 01:39.

Mar 22 2012

import latest colvar module code from svn.
1b6cfc4caa97
·Axel Kohlmeyer on Mar 22 2012, 01:39.
Merge branch 'master' into lammps-icms
27fdf790e4b1
·Axel Kohlmeyer on Mar 22 2012, 01:20.

Mar 20 2012

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7961 f3b2605a-c512-4ea7…
740542f23b52
·sjplimp on Mar 20 2012, 15:05.

Mar 17 2012

updated documentation with reference to paper
b1af777efb74
·Axel Kohlmeyer on Mar 17 2012, 22:34.

Mar 13 2012

add hint for compiling with debug info enabled
b4629fdd590d
·Axel Kohlmeyer on Mar 13 2012, 03:55.

Mar 8 2012

use more portable optimization flages
b80661d045ab
·Axel Kohlmeyer on Mar 8 2012, 03:33.
first fully working version of the colvars module
82a43ae07818
·Axel Kohlmeyer on Mar 8 2012, 03:06.

Mar 7 2012

need to reset proxiy pointer to NULL in destructor
5c27661f0077
·Axel Kohlmeyer on Mar 7 2012, 23:37.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7922 f3b2605a-c512-4ea7…
a1f79c40fe04
·sjplimp on Mar 7 2012, 16:00.
Merge branch 'lammps-icms' into lammps-colvars
8df6168a2d50
·Axel Kohlmeyer on Mar 7 2012, 05:18.
import OpenCL bugfix from mike brown.
10ac23c12008
·Axel Kohlmeyer on Mar 7 2012, 05:18.

Mar 6 2012

Merge branch 'lammps-icms' into lammps-colvars
297d720e65b0
·Axel Kohlmeyer on Mar 6 2012, 21:54.
reinstate full cg/cmm compatibility for USER-CUDA
9f1e6e5c771a
·Axel Kohlmeyer on Mar 6 2012, 21:34.
Merge branch 'master' into lammps-icms
5b051c4d3d36
·Axel Kohlmeyer on Mar 6 2012, 21:21.

Mar 5 2012

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7904 f3b2605a-c512-4ea7…
5dbd664a202c
·sjplimp on Mar 5 2012, 16:29.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7903 f3b2605a-c512-4ea7…
377cd52b2e98
·sjplimp on Mar 5 2012, 16:28.
compile with debug info included for now.
20705064a58a
·Axel Kohlmeyer on Mar 5 2012, 03:26.

Mar 4 2012

small tweaks to integrate colvars smoothly.
6b9a2193df21
·Axel Kohlmeyer on Mar 4 2012, 02:31.

Mar 3 2012

added a README file for the library build
8c984ee8b1e3
·Axel Kohlmeyer on Mar 3 2012, 23:14.
use proper library name
d62c9cb15ae7
·Axel Kohlmeyer on Mar 3 2012, 22:56.
fix obvious bug
93b0efd9f2bc
·Axel Kohlmeyer on Mar 3 2012, 22:56.
added build infrastructure for lammps
4af964d452f0
·Axel Kohlmeyer on Mar 3 2012, 22:48.
initial import of colvars code from svn archive
53c98c2b6301
·Axel Kohlmeyer on Mar 3 2012, 22:31.
Merge branch 'master' into lammps-icms
47e2a3a5fc45
·Axel Kohlmeyer on Mar 3 2012, 19:25.

Mar 2 2012

bugfixes from christian for USER-CUDA
cb8a8c962544
·Axel Kohlmeyer on Mar 2 2012, 22:43.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7885 f3b2605a-c512-4ea7…
d30ba2d7eb64
·sjplimp on Mar 2 2012, 16:57.
Merge branch 'master' into lammps-icms
172f6724d9df
·Axel Kohlmeyer on Mar 2 2012, 16:00.

Mar 1 2012

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7876 f3b2605a-c512-4ea7…
1a7a009098a2
·sjplimp on Mar 1 2012, 18:02.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7875 f3b2605a-c512-4ea7…
c74d2c7e08f2
·sjplimp on Mar 1 2012, 18:01.

Feb 2 2012

Merge branch 'master' into lammps-icms
6214cf294416
·Axel Kohlmeyer on Feb 2 2012, 15:13.

Feb 1 2012

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7644 f3b2605a-c512-4ea7…
2c42373bc8d0
·sjplimp on Feb 1 2012, 17:07.

Jan 31 2012

Merge branch 'master' into lammps-icms
783142ff2e17
·Axel Kohlmeyer on Jan 31 2012, 14:38.
adjust makefile default settings
53449d437525
·Axel Kohlmeyer on Jan 31 2012, 03:07.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7618 f3b2605a-c512-4ea7…
32dba78215df
·sjplimp on Jan 31 2012, 01:55.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7616 f3b2605a-c512-4ea7…
8149b411038d
·sjplimp on Jan 31 2012, 01:40.

Jan 30 2012

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7607 f3b2605a-c512-4ea7…
0e1c7f13a1da
·sjplimp on Jan 30 2012, 23:53.

Jan 27 2012

Merge branch 'master' into lammps-icms
aa13dbbe66bc
·Axel Kohlmeyer on Jan 27 2012, 16:19.
embed path to shared gpu library
65ac3b2dec52
·Axel Kohlmeyer on Jan 27 2012, 16:18.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7588 f3b2605a-c512-4ea7…
cd50fe777370
·sjplimp on Jan 27 2012, 01:41.

Jan 26 2012

Merge branch 'master' into lammps-icms
00c4af42a482
·Axel Kohlmeyer on Jan 26 2012, 20:57.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7586 f3b2605a-c512-4ea7…
a91b67d8154c
·sjplimp on Jan 26 2012, 18:55.

Jan 25 2012

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7581 f3b2605a-c512-4ea7…
2aaf4f6d7e96
·sjplimp on Jan 25 2012, 22:22.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7575 f3b2605a-c512-4ea7…
6b1774dc2052
·sjplimp on Jan 25 2012, 16:31.
correct OpenCL makefile
483d9fc5b570
·Axel Kohlmeyer on Jan 25 2012, 03:40.

Jan 24 2012

Merge branch 'lammps-lal' into lammps-icms-lal
86b6a0044923
·Axel Kohlmeyer on Jan 24 2012, 01:37.

Jan 23 2012

Added a header needed to compile with Cray cce.
a7e57915f70c
·W. Michael Brown on Jan 23 2012, 23:49.
Moving the order of bool variables in lal_table to match constructor assignment.
5da8da06ab12
·W. Michael Brown on Jan 23 2012, 19:22.
Merge branch 'master' of https://bitbucket.org/wb8/lal
acca720c4288
·W. Michael Brown on Jan 23 2012, 17:45.
Made separate kernels for different table styles, removed inline functions
038497434662
·Nguyen on Jan 23 2012, 16:48.

Jan 22 2012

Merge ssh://lens.ccs.ornl.gov/~/git/lammps
be352c7ff761
·W. Michael Brown on Jan 22 2012, 02:52.
Merge branch 'master' of http://git.icms.temple.edu/lammps-ro
6946fb516f1b
·Mike Brown on Jan 22 2012, 02:49.
Merge ssh://lens.ccs.ornl.gov/~/git/lammps
10ce8fa895e8
·W. Michael Brown on Jan 22 2012, 00:38.

Jan 21 2012

- Updated geryon lib for Apple OpenCL - Fixed typos in Nvidia.makefile and…
274c3d38c4d7
·Nguyen on Jan 21 2012, 04:20.

Jan 20 2012

Fixing issue with OpenCL. Unused memory pointers that are arguments to kernels…
13c2da0546df
·W. Michael Brown on Jan 20 2012, 19:01.

Jan 19 2012

Code formatting and added log file for table with bitmap for regression tests.
4b0e911573fd
·W. Michael Brown on Jan 19 2012, 22:15.
Fixed bugs with bitmap table/gpu
dd62b23a1742
·Trung Nguyen on Jan 19 2012, 05:57.

Jan 18 2012

Merge branch 'master' of https://bitbucket.org/wb8/lal
5870b4fff77b
·W. Michael Brown on Jan 18 2012, 23:22.
Cleaning up code formatting.
eedce7ae8971
·W. Michael Brown on Jan 18 2012, 23:19.
Added tests for two-type eam
67362186addf
·Nguyen on Jan 18 2012, 22:13.

Jan 17 2012

Fixing bug in neighbor build to prevent copy of host neighbor list when the…
981383436da8
·W. Michael Brown on Jan 17 2012, 23:36.

Jan 16 2012

support compiling the GPU library as shared lib.
909931539d6d
·Axel Kohlmeyer on Jan 16 2012, 02:33.

Jan 10 2012

Merge branch 'master' into lammps-icms
5026f4b7886b
·Axel Kohlmeyer on Jan 10 2012, 15:05.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7498 f3b2605a-c512-4ea7…
66ad4f5c21b7
·sjplimp on Jan 10 2012, 02:55.

Jan 9 2012

Merge branch 'master' of ssh://yona.ccs.ornl.gov/~/git/lammps
52ec090bd648
·W. Michael Brown on Jan 9 2012, 15:49.
Merge branch 'master' of http://git.icms.temple.edu/lammps-ro
949937d725c6
·Mike Brown on Jan 9 2012, 15:47.
Merge branch 'master' of https://bitbucket.org/wb8/lal
b7cece5210f8
·W. Michael Brown on Jan 9 2012, 15:40.

Jan 7 2012

Merge branch 'master' into lammps-icms
4ae1ca521cd4
·Axel Kohlmeyer on Jan 7 2012, 18:04.

Jan 6 2012

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7446 f3b2605a-c512-4ea7…
78385ca341ff
·sjplimp on Jan 6 2012, 19:15.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7445 f3b2605a-c512-4ea7…
062409ad340e
·sjplimp on Jan 6 2012, 19:15.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7436 f3b2605a-c512-4ea7…
bc9971341fd6
·sjplimp on Jan 6 2012, 18:42.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7435 f3b2605a-c512-4ea7…
1215b8acccfc
·sjplimp on Jan 6 2012, 18:41.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7426 f3b2605a-c512-4ea7…
aac0e5699f0e
·sjplimp on Jan 6 2012, 18:13.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7422 f3b2605a-c512-4ea7…
a242911efdfa
·sjplimp on Jan 6 2012, 18:07.

Jan 1 2012

Merge branch 'openmp-master' into lammps-icms
221499203559
·Axel Kohlmeyer on Jan 1 2012, 01:59.
Merge branch 'master' into lammps-icms
9259ae869929
·Axel Kohlmeyer on Jan 1 2012, 01:07.

Dec 27 2011

terminate all inline function declaration with ';'
d0686fbd3fbc
·Axel Kohlmeyer on Dec 27 2011, 01:48.

Dec 21 2011

Fixing some bugs introduced in the last commit for PPPM.
6844100cbbb9
·W. Michael Brown on Dec 21 2011, 20:21.
Improved the 2nd kernel eam/lj just a little bit
ea067ec4e65e
·Trung Nguyen on Dec 21 2011, 06:57.
Updates to support pppm/gpu with verlet/split. Updates from Steve for using…
04034b61789e
·W. Michael Brown on Dec 21 2011, 03:50.
Changes to pppm to support verlet/split. Not yet working.
771b45690752
·W. Michael Brown on Dec 21 2011, 00:05.

Dec 20 2011

Added eam/lj/gpu
abb538b81420
·Nguyen on Dec 20 2011, 20:57.

Dec 19 2011

Moving fp array resize for EAM before the inum check to prevent segmentation…
75cb370d34f9
·W. Michael Brown on Dec 19 2011, 22:29.
Moving energy pointer offset to only happen with eflag in eam. Adding some…
d8657857868e
·W. Michael Brown on Dec 19 2011, 19:12.
Fixed a bug with storing fp to incorrect indices
7d47a0f6b93b
·Nguyen on Dec 19 2011, 18:03.
Removing comments from fast kernels.
4b180c8a31ce
·W. Michael Brown on Dec 19 2011, 17:19.

Dec 17 2011

Fixing bugs in eam/gpu, force compute still not working properly for 2 atom…
dbde8f425bfd
·Trung Nguyen on Dec 17 2011, 12:57.

Dec 16 2011

Merge branch 'master' of ssh://firefly9.ornl.gov/~/code/lammps
3bcd98d4f112
·W. Michael Brown on Dec 16 2011, 18:55.
Adding a int2 type.
ac97aa3e9414
·W. Michael Brown on Dec 16 2011, 18:55.
Geryon update.
b7a2dc6eba60
·W. Michael Brown on Dec 16 2011, 02:45.

Dec 14 2011

Merge branch 'master' of https://bitbucket.org/wb8/lal
21778b853139
·W. Michael Brown on Dec 14 2011, 23:41.
Adding files removed from the last sync with main lammps.
7f9dc9a8a976
·W. Michael Brown on Dec 14 2011, 23:39.
atc bugfix
3e5c175a5bb4
·Axel Kohlmeyer on Dec 14 2011, 22:21.
Merge branch 'master' of ssh://yona.ccs.ornl.gov/~/git/lammps
40cadfabf5ed
·W. Michael Brown on Dec 14 2011, 21:58.
Fixes that didn't get incorporated in last merge.
145ec27e2be5
·Mike Brown on Dec 14 2011, 21:11.
Merge branch 'master' of http://git.icms.temple.edu/lammps-ro
c8f9dde96262
·Mike Brown on Dec 14 2011, 19:17.

Dec 9 2011

Merge branch 'master' into openmp-master
2b97a34844b2
·Axel Kohlmeyer on Dec 9 2011, 15:40.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7320 f3b2605a-c512-4ea7…
f56f6a1a9dd4
·sjplimp on Dec 9 2011, 00:16.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7317 f3b2605a-c512-4ea7…
4a2feb25b2ec
·sjplimp on Dec 9 2011, 00:12.

lammps/liblammps-icmsa6b7299ddc2b996353886ec…

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lammps/lib
lammps-icmsa6b7299ddc2b996353886ec…