Diffusion lammps (lammm-master-deprecated) History

lammps/src
lammm-master-deprecated1b1962e505d7100913998b4…

Feb 8 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9404 f3b2605a-c512-4ea7…
6676724eeebc
·sjplimp on Feb 8 2013, 17:57.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9403 f3b2605a-c512-4ea7…
9ce4e5b12186
·sjplimp on Feb 8 2013, 17:56.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9402 f3b2605a-c512-4ea7…
31dea6d086fb
·sjplimp on Feb 8 2013, 17:55.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9401 f3b2605a-c512-4ea7…
0beb95626f71
·sjplimp on Feb 8 2013, 17:55.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9399 f3b2605a-c512-4ea7…
ce7dede594ea
·sjplimp on Feb 8 2013, 17:44.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9398 f3b2605a-c512-4ea7…
6bdbde76da85
·sjplimp on Feb 8 2013, 17:35.
let compilers to a better job at optimizating loops over x,y,z atom properties
c5651e89b5ce
·Axel Kohlmeyer on Feb 8 2013, 11:32.
/omp variant of nve integrator
e1f19d73d222
·Axel Kohlmeyer on Feb 8 2013, 10:05.
updated comment
037cf680c1ea
·Axel Kohlmeyer on Feb 8 2013, 09:38.
made computes thread safe and more efficient.
2ca37b743f3a
·Axel Kohlmeyer on Feb 8 2013, 09:33.
add missing wrapper class for fix nph/omp
af5399b87c0c
·Axel Kohlmeyer on Feb 8 2013, 08:16.

Feb 7 2013

add multi-threaded sphere integrators
fe27b7df287c
·Axel Kohlmeyer on Feb 7 2013, 22:38.
remove obsolete branch in velocity update code
6534e67e3651
·Axel Kohlmeyer on Feb 7 2013, 22:38.
added classes for aspherical nph/npt/nvt integration
9658e11cc343
·Axel Kohlmeyer on Feb 7 2013, 21:53.
start multithreaded integrators for aspherical objects
f1ca3540e112
·Axel Kohlmeyer on Feb 7 2013, 21:44.
multi-threaded version of fix nvt/sllod
e29e0c8ff1d7
·Axel Kohlmeyer on Feb 7 2013, 21:05.
add threaded version of the last method frequently looping over all atoms
e7dc86d2c7b4
·Axel Kohlmeyer on Feb 7 2013, 20:51.
silence warnings
5dec8bc1fb72
·Axel Kohlmeyer on Feb 7 2013, 19:49.
fix typo
8531dcdc7237
·Axel Kohlmeyer on Feb 7 2013, 19:46.
make temperature computes thread-safe
99ecb737e948
·Axel Kohlmeyer on Feb 7 2013, 19:40.
enable parallel pressure support with bias
eb7336217181
·Axel Kohlmeyer on Feb 7 2013, 19:40.
remove bogus directory
5b72fbee6814
·Axel Kohlmeyer on Feb 7 2013, 18:33.
remove redundant class members
a804110b6f5c
·Axel Kohlmeyer on Feb 7 2013, 17:24.
add one more multithreaded integrator method
dc4996deee92
·Axel Kohlmeyer on Feb 7 2013, 17:23.
implement multi-threaded DomainOMP::pbc() method
63dc5150312e
·Axel Kohlmeyer on Feb 7 2013, 15:19.
multi-thread some frequently user functions in Domain
a594c8ac12af
·Axel Kohlmeyer on Feb 7 2013, 15:09.
expand OpenMP support in time integration
21adc8e8226e
·Axel Kohlmeyer on Feb 7 2013, 12:24.
fix typo
3fc2f7c4a9f2
·Axel Kohlmeyer on Feb 7 2013, 12:21.
one more stupid bug fixed
46a05e33628d
·Axel Kohlmeyer on Feb 7 2013, 11:31.
fix typos
d4af628c7304
·Axel Kohlmeyer on Feb 7 2013, 11:29.

Feb 6 2013

first stab at multi-threading fix nh based integrators
7a2c634216d0
·Axel Kohlmeyer on Feb 6 2013, 21:46.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9397 f3b2605a-c512-4ea7…
6ab4ee064b81
·pscrozi on Feb 6 2013, 20:29.

Feb 5 2013

more uses of special math functions
b01907cd9549
·Axel Kohlmeyer on Feb 5 2013, 00:36.

Feb 4 2013

use special math functions
49690af8566d
·Axel Kohlmeyer on Feb 4 2013, 23:09.
shortcut function for pow(-1.0,n)
94eabdfe6b39
·Axel Kohlmeyer on Feb 4 2013, 23:08.
two more constants
4a71515cca80
·Axel Kohlmeyer on Feb 4 2013, 23:08.
bug fix for bug reported by bart vosselaar and then some
6d25a37fa188
·Axel Kohlmeyer on Feb 4 2013, 23:08.
streamlines version of powsinxx() and powint() for pow(x,n)
fbe629b81f4e
·Axel Kohlmeyer on Feb 4 2013, 20:40.

Feb 3 2013

more files to ignore
fcaaf2e2ced5
·Axel Kohlmeyer on Feb 3 2013, 22:33.
add OpenMP versions of recently added bonded styles
58d375dda361
·Axel Kohlmeyer on Feb 3 2013, 22:30.
remove crazy workaround for scoping issues
4e7863295cd3
·Axel Kohlmeyer on Feb 3 2013, 22:29.
need to use fabs() and not abs() on doubles
91d9599607a6
·Axel Kohlmeyer on Feb 3 2013, 22:28.
no minimum image needed for dihedrals anymore
f1065b0c7ba7
·Axel Kohlmeyer on Feb 3 2013, 22:27.
fix off-by-one bug
f2af680fdba9
·Axel Kohlmeyer on Feb 3 2013, 19:09.
make package management scripts more steve-friendly
225d792ce991
·Axel Kohlmeyer on Feb 3 2013, 19:07.
Merge branch 'master' into lammps-icms
1fa419fa8553
·Axel Kohlmeyer on Feb 3 2013, 14:23.

Feb 1 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9394 f3b2605a-c512-4ea7…
f0c4f5680bcb
·sjplimp on Feb 1 2013, 23:39.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9391 f3b2605a-c512-4ea7…
f8859b275dfc
·sjplimp on Feb 1 2013, 22:16.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9390 f3b2605a-c512-4ea7…
e4eb1da5f7f1
·sjplimp on Feb 1 2013, 22:14.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9382 f3b2605a-c512-4ea7…
b9e6cda7930d
·sjplimp on Feb 1 2013, 18:01.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9380 f3b2605a-c512-4ea7…
69a209f09da2
·sjplimp on Feb 1 2013, 17:52.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9379 f3b2605a-c512-4ea7…
9b7bd3e8928a
·sjplimp on Feb 1 2013, 15:51.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9378 f3b2605a-c512-4ea7…
a1433bf82c8b
·sjplimp on Feb 1 2013, 15:42.
clear allocated storage
5970c961619e
·Axel Kohlmeyer on Feb 1 2013, 14:30.
Merge branch 'master' into lammps-icms
bdd81705ccd2
·Axel Kohlmeyer on Feb 1 2013, 14:29.
make msm/omp compatible with broken OpenMP in gcc 4.2
d7962731c901
·Axel Kohlmeyer on Feb 1 2013, 13:49.
refactoring of dihedral_style table.
0b779e30baa6
·Axel Kohlmeyer on Feb 1 2013, 13:44.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9375 f3b2605a-c512-4ea7…
eb92fdb7e53e
·sjplimp on Feb 1 2013, 01:42.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9373 f3b2605a-c512-4ea7…
33fab0ee6228
·sjplimp on Feb 1 2013, 01:40.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9372 f3b2605a-c512-4ea7…
8be0384eaba3
·sjplimp on Feb 1 2013, 01:39.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9371 f3b2605a-c512-4ea7…
b8d27cd38cdb
·sjplimp on Feb 1 2013, 01:39.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9370 f3b2605a-c512-4ea7…
7ad05e6dab61
·sjplimp on Feb 1 2013, 01:38.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9366 f3b2605a-c512-4ea7…
583ba721da59
·sjplimp on Feb 1 2013, 01:10.

Jan 31 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9350 f3b2605a-c512-4ea7…
bde38bc21709
·sjplimp on Jan 31 2013, 18:30.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9347 f3b2605a-c512-4ea7…
b648f55b2da1
·sjplimp on Jan 31 2013, 17:31.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9346 f3b2605a-c512-4ea7…
0c6b84987cf3
·sjplimp on Jan 31 2013, 17:31.
default to 1 thread if OMP_NUM_THREADS is not set and make setting consistent…
eaada48ec1bb
·Axel Kohlmeyer on Jan 31 2013, 15:11.

Jan 29 2013

bugfix for hybrid pair styles.
e040273d4a4f
·Axel Kohlmeyer on Jan 29 2013, 12:07.

Jan 26 2013

Merge branch 'master' into lammps-icms
222322ed1b98
·Axel Kohlmeyer on Jan 26 2013, 14:26.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9343 f3b2605a-c512-4ea7…
d5de73bf9871
·sjplimp on Jan 26 2013, 00:22.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9342 f3b2605a-c512-4ea7…
e1c13c52caaa
·sjplimp on Jan 26 2013, 00:22.

Jan 25 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9339 f3b2605a-c512-4ea7…
61035d81382a
·sjplimp on Jan 25 2013, 23:41.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9338 f3b2605a-c512-4ea7…
e635e5c0bbd1
·sjplimp on Jan 25 2013, 23:38.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9335 f3b2605a-c512-4ea7…
a746399e0206
·sjplimp on Jan 25 2013, 23:30.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9334 f3b2605a-c512-4ea7…
7a1238eef4e6
·sjplimp on Jan 25 2013, 23:24.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9333 f3b2605a-c512-4ea7…
c799bb03d545
·sjplimp on Jan 25 2013, 23:21.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9332 f3b2605a-c512-4ea7…
807f72a6b076
·sjplimp on Jan 25 2013, 21:34.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9325 f3b2605a-c512-4ea7…
3d5cc59bc650
·sjplimp on Jan 25 2013, 17:37.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9322 f3b2605a-c512-4ea7…
e55477249963
·sjplimp on Jan 25 2013, 17:33.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9321 f3b2605a-c512-4ea7…
8a00b0e000e6
·sjplimp on Jan 25 2013, 17:33.

Jan 24 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9313 f3b2605a-c512-4ea7…
97fe7ba73502
·sjplimp on Jan 24 2013, 20:19.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9312 f3b2605a-c512-4ea7…
a4bc5aa73a55
·sjplimp on Jan 24 2013, 20:17.
Merge branch 'master' into lammps-icms
c7a34efd4b15
·Axel Kohlmeyer on Jan 24 2013, 17:17.
Adding in Axel's special math functions that give about 2% speed-up on the…
30246e8dae99
·pscrozi on Jan 24 2013, 00:13.

Jan 23 2013

Merge branch 'master' into lammps-icms
43834891f189
·Axel Kohlmeyer on Jan 23 2013, 13:09.

Jan 22 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9310 f3b2605a-c512-4ea7…
d20a395d4df9
·pscrozi on Jan 22 2013, 21:19.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9309 f3b2605a-c512-4ea7…
f0d36d98e96c
·pscrozi on Jan 22 2013, 21:18.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9308 f3b2605a-c512-4ea7…
cda07e598c0f
·sjplimp on Jan 22 2013, 20:09.

Jan 21 2013

update /omp versions of brownian and lubricate pair styles for changes in…
5b1fe9d76389
·Axel Kohlmeyer on Jan 21 2013, 09:28.
Merge branch 'master' into lammps-icms
af8189610001
·Axel Kohlmeyer on Jan 21 2013, 09:11.

Jan 18 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9303 f3b2605a-c512-4ea7…
fd75622da330
·sjplimp on Jan 18 2013, 22:02.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9301 f3b2605a-c512-4ea7…
35769609d95c
·sjplimp on Jan 18 2013, 21:55.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9300 f3b2605a-c512-4ea7…
746deead15bf
·sjplimp on Jan 18 2013, 21:46.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9299 f3b2605a-c512-4ea7…
2d6d2de507ff
·sjplimp on Jan 18 2013, 21:39.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9297 f3b2605a-c512-4ea7…
aa62e9b38983
·sjplimp on Jan 18 2013, 17:59.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9295 f3b2605a-c512-4ea7…
7866cd6a293b
·sjplimp on Jan 18 2013, 17:53.
Merge branch 'master' into lammps-icms
e1709a44891d
·Axel Kohlmeyer on Jan 18 2013, 13:50.

Jan 17 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9291 f3b2605a-c512-4ea7…
9639777677b4
·sjplimp on Jan 17 2013, 21:14.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9290 f3b2605a-c512-4ea7…
78aaed5f2215
·sjplimp on Jan 17 2013, 21:13.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9288 f3b2605a-c512-4ea7…
9cd44aec3346
·sjplimp on Jan 17 2013, 19:03.

lammps/srclammm-master-deprecated1b1962e505d7100913998b4…

Feb 8 2013

Feb 7 2013

Feb 6 2013

Feb 5 2013

Feb 4 2013

Feb 3 2013

Feb 1 2013

Jan 31 2013

Jan 29 2013

Jan 26 2013

Jan 25 2013

Jan 24 2013

Jan 23 2013

Jan 22 2013

Jan 21 2013

Jan 18 2013

Jan 17 2013

lammps/src
lammm-master-deprecated1b1962e505d7100913998b4…