Diffusion lammps (lammm-master-deprecated) History

History
lammm-master-deprecateda6b7299ddc2b996353886ec…

Apr 2 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9728 f3b2605a-c512-4ea7…
f62f51486855
·sjplimp on Apr 2 2013, 17:21.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9727 f3b2605a-c512-4ea7…
d930685e6844
·sjplimp on Apr 2 2013, 17:19.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9726 f3b2605a-c512-4ea7…
45d187463ded
·sjplimp on Apr 2 2013, 17:15.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9725 f3b2605a-c512-4ea7…
9b753bd19f95
·sjplimp on Apr 2 2013, 17:11.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9724 f3b2605a-c512-4ea7…
9b0265211d15
·sjplimp on Apr 2 2013, 16:44.
properly handle KSPACE package dependency for GPU package
ae363ff8f517
·Axel Kohlmeyer on Apr 2 2013, 13:45.
Merge remote branch 'lammps-ro/master' into lammps-icms
8e5febbc810f
·Axel Kohlmeyer on Apr 2 2013, 13:40.

Apr 1 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9723 f3b2605a-c512-4ea7…
1760cf463311
·sjplimp on Apr 1 2013, 18:00.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9722 f3b2605a-c512-4ea7…
45ea5f9795be
·sjplimp on Apr 1 2013, 18:00.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9721 f3b2605a-c512-4ea7…
ad3095214454
·sjplimp on Apr 1 2013, 17:59.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9720 f3b2605a-c512-4ea7…
2a67f644a896
·sjplimp on Apr 1 2013, 17:50.

Mar 29 2013

move remaining hybrid styles from MOLECULE package to main
c2d8417f4d28
·Axel Kohlmeyer on Mar 29 2013, 14:41.

Mar 28 2013

Merge branch 'lammps-icms' of git://git.icms.temple.edu/lammps-icms into lammps…
30ef4e882ea9
·Axel Kohlmeyer on Mar 28 2013, 15:39.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
3464e4fe98be
·Axel Kohlmeyer on Mar 28 2013, 15:39.

Mar 27 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9718 f3b2605a-c512-4ea7…
a4d91774eede
·pscrozi on Mar 27 2013, 23:37.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9717 f3b2605a-c512-4ea7…
87023e98bb27
·pscrozi on Mar 27 2013, 23:35.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9716 f3b2605a-c512-4ea7…
836502a3578a
·pscrozi on Mar 27 2013, 23:16.

Mar 26 2013

zero list length bug in all bond/angle/dihedral/improper /omp styles
32f9fc8afc87
·Axel Kohlmeyer on Mar 26 2013, 11:37.
use -MM as DEPFLAG instead of -M
1822bd92e697
·Axel Kohlmeyer on Mar 26 2013, 10:27.

Mar 23 2013

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
3a639d964bec
·Axel Kohlmeyer on Mar 23 2013, 18:08.

Mar 22 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9710 f3b2605a-c512-4ea7…
c2be9deab9c6
·sjplimp on Mar 22 2013, 23:36.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9709 f3b2605a-c512-4ea7…
c5f8cbd8232b
·sjplimp on Mar 22 2013, 23:36.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9708 f3b2605a-c512-4ea7…
37fc180bf7be
·sjplimp on Mar 22 2013, 23:32.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9707 f3b2605a-c512-4ea7…
67503ebecc3f
·sjplimp on Mar 22 2013, 23:16.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9706 f3b2605a-c512-4ea7…
7ef747d8d5a1
·pscrozi on Mar 22 2013, 22:15.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9705 f3b2605a-c512-4ea7…
00ac3e5451fc
·pscrozi on Mar 22 2013, 16:37.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9704 f3b2605a-c512-4ea7…
e679de03bfc8
·pscrozi on Mar 22 2013, 15:58.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
398b4273d285
·Axel Kohlmeyer on Mar 22 2013, 11:19.

Mar 21 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9703 f3b2605a-c512-4ea7…
c888137ebad7
·sjplimp on Mar 21 2013, 18:36.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9702 f3b2605a-c512-4ea7…
03c092e07f58
·sjplimp on Mar 21 2013, 18:36.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9701 f3b2605a-c512-4ea7…
a289ce92d7a9
·sjplimp on Mar 21 2013, 18:36.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9699 f3b2605a-c512-4ea7…
5c3e9abce7f7
·sjplimp on Mar 21 2013, 15:44.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9698 f3b2605a-c512-4ea7…
e898defee835
·sjplimp on Mar 21 2013, 15:44.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9697 f3b2605a-c512-4ea7…
45a4e8a1a64e
·sjplimp on Mar 21 2013, 15:41.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9696 f3b2605a-c512-4ea7…
b8a8af17de49
·sjplimp on Mar 21 2013, 15:38.
remove obsoleted test files
bb8863531ce7
·Axel Kohlmeyer on Mar 21 2013, 11:44.

Mar 20 2013

update version string for restart2data
20ccbeb5c8e4
·Axel Kohlmeyer on Mar 20 2013, 17:33.

Mar 19 2013

fix typo in restart2data for lj/long/coul/long
98a9f740c12f
·Axel Kohlmeyer on Mar 19 2013, 16:59.
fix bug with multi-threaded respa neighbor lists reported by rolf
b1da57a59b65
·Axel Kohlmeyer on Mar 19 2013, 16:59.
initialization bugfix in pppm/disp
89120de84fd3
·Axel Kohlmeyer on Mar 19 2013, 13:53.
simplify locking for respa neighbor lists
e2e81459604e
·Axel Kohlmeyer on Mar 19 2013, 11:26.
import long/disp updates from rolf
9b7c9b0d1e9a
·Axel Kohlmeyer on Mar 19 2013, 11:25.

Mar 17 2013

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
9ad2d74bf9d6
·Axel Kohlmeyer on Mar 17 2013, 12:36.

Mar 16 2013

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
a3603ca40fca
·Axel Kohlmeyer on Mar 16 2013, 10:18.

Mar 15 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9695 f3b2605a-c512-4ea7…
8533d6dca96b
·sjplimp on Mar 15 2013, 16:09.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9694 f3b2605a-c512-4ea7…
0a97cb8e9a6a
·pscrozi on Mar 15 2013, 01:14.

Mar 14 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9691 f3b2605a-c512-4ea7…
505a0dd4f479
·sjplimp on Mar 14 2013, 17:46.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9690 f3b2605a-c512-4ea7…
32f9bf830620
·sjplimp on Mar 14 2013, 17:46.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9689 f3b2605a-c512-4ea7…
6b884058df86
·sjplimp on Mar 14 2013, 17:37.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9688 f3b2605a-c512-4ea7…
28480c5221d5
·sjplimp on Mar 14 2013, 17:34.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9687 f3b2605a-c512-4ea7…
040cedbe5aa1
·sjplimp on Mar 14 2013, 17:34.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9680 f3b2605a-c512-4ea7…
eeecd6980262
·sjplimp on Mar 14 2013, 15:30.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
1bf81d24a45a
·Axel Kohlmeyer on Mar 14 2013, 08:39.

Mar 13 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9663 f3b2605a-c512-4ea7…
788b657922e1
·sjplimp on Mar 13 2013, 19:48.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9662 f3b2605a-c512-4ea7…
ba0c0a959c8e
·sjplimp on Mar 13 2013, 16:43.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9661 f3b2605a-c512-4ea7…
a200f0ae3814
·sjplimp on Mar 13 2013, 16:43.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9660 f3b2605a-c512-4ea7…
b78c4aa84167
·sjplimp on Mar 13 2013, 16:36.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9659 f3b2605a-c512-4ea7…
a58779babf62
·sjplimp on Mar 13 2013, 16:30.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9658 f3b2605a-c512-4ea7…
0cd14bfb847a
·sjplimp on Mar 13 2013, 16:26.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9657 f3b2605a-c512-4ea7…
9897d3854216
·sjplimp on Mar 13 2013, 16:26.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9656 f3b2605a-c512-4ea7…
7fbf90ea90b9
·sjplimp on Mar 13 2013, 16:01.

Mar 12 2013

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
8a912603a5f0
·Axel Kohlmeyer on Mar 12 2013, 18:44.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9651 f3b2605a-c512-4ea7…
3a65e81417ab
·sjplimp on Mar 12 2013, 16:38.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9650 f3b2605a-c512-4ea7…
ae3e0a6678e9
·sjplimp on Mar 12 2013, 16:38.

Mar 11 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9645 f3b2605a-c512-4ea7…
1ff629817f0d
·sjplimp on Mar 11 2013, 22:42.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9644 f3b2605a-c512-4ea7…
e07d3d39db6f
·sjplimp on Mar 11 2013, 22:42.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9641 f3b2605a-c512-4ea7…
3ba07ca1e613
·sjplimp on Mar 11 2013, 22:37.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9640 f3b2605a-c512-4ea7…
dd6ff4ebce90
·sjplimp on Mar 11 2013, 22:36.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9637 f3b2605a-c512-4ea7…
5d5f0f2a618b
·sjplimp on Mar 11 2013, 21:54.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9636 f3b2605a-c512-4ea7…
c45b987764b1
·sjplimp on Mar 11 2013, 21:53.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9635 f3b2605a-c512-4ea7…
95e9b95d6715
·sjplimp on Mar 11 2013, 21:52.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9634 f3b2605a-c512-4ea7…
7bd090262db3
·sjplimp on Mar 11 2013, 21:50.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9633 f3b2605a-c512-4ea7…
bacce98d040e
·sjplimp on Mar 11 2013, 21:48.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9632 f3b2605a-c512-4ea7…
a920f2320475
·sjplimp on Mar 11 2013, 21:47.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9626 f3b2605a-c512-4ea7…
5ce9fbe0baf6
·sjplimp on Mar 11 2013, 15:53.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9625 f3b2605a-c512-4ea7…
a1e6474af5fd
·sjplimp on Mar 11 2013, 15:52.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9624 f3b2605a-c512-4ea7…
afe5497421a6
·sjplimp on Mar 11 2013, 15:51.

Mar 8 2013

improved version of msm/omp from stan
6332d404d52d
·Axel Kohlmeyer on Mar 8 2013, 20:49.
more changes to protect the pppm*/omp styles from segfaulting
04c6cca84b38
·Axel Kohlmeyer on Mar 8 2013, 20:02.
add support for per-atom virial
6f0a56be5c8b
·Axel Kohlmeyer on Mar 8 2013, 19:23.
define nlocal outside of OpenMP region
8861fa1340a0
·Axel Kohlmeyer on Mar 8 2013, 19:23.
handle the no local atom case in all pppm variants better
8b71c157de92
·Axel Kohlmeyer on Mar 8 2013, 19:18.
whitespace cleanup
ffaec63235f1
·Axel Kohlmeyer on Mar 8 2013, 17:30.
fix segfault in msm/omp. code is awfully slow now.
a512a88b1f16
·Axel Kohlmeyer on Mar 8 2013, 16:14.
remove workaround for uninitialized atom structs
674926a626e1
·Axel Kohlmeyer on Mar 8 2013, 13:35.
pair style was added to MOLECULE in upstream
438f28a33fa8
·Axel Kohlmeyer on Mar 8 2013, 12:28.
Merge remote branch 'lammps-ro/master' into lammps-icms
21e4a32e6528
·Axel Kohlmeyer on Mar 8 2013, 12:26.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9623 f3b2605a-c512-4ea7…
10cdb7dc5e4a
·sjplimp on Mar 8 2013, 00:57.

Mar 7 2013

add check flag that counts if all pairs have been processed
820f6002ef8a
·Axel Kohlmeyer on Mar 7 2013, 23:25.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9621 f3b2605a-c512-4ea7…
9cea9380c164
·sjplimp on Mar 7 2013, 23:10.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9620 f3b2605a-c512-4ea7…
99a121a3fa11
·sjplimp on Mar 7 2013, 23:10.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9619 f3b2605a-c512-4ea7…
1cdaba9662f5
·sjplimp on Mar 7 2013, 23:06.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9617 f3b2605a-c512-4ea7…
c4777f3ec954
·sjplimp on Mar 7 2013, 22:26.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9616 f3b2605a-c512-4ea7…
b795be4ee4ad
·sjplimp on Mar 7 2013, 22:26.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9614 f3b2605a-c512-4ea7…
bfa67dbdf835
·sjplimp on Mar 7 2013, 22:22.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9613 f3b2605a-c512-4ea7…
4fd5028c199b
·sjplimp on Mar 7 2013, 21:47.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9612 f3b2605a-c512-4ea7…
c949b368e150
·sjplimp on Mar 7 2013, 21:47.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9611 f3b2605a-c512-4ea7…
52f09a7bd1fe
·sjplimp on Mar 7 2013, 21:46.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9610 f3b2605a-c512-4ea7…
080dcf284925
·sjplimp on Mar 7 2013, 21:27.
add check for pair list pair counting
656658f5a4e4
·Axel Kohlmeyer on Mar 7 2013, 19:57.

Historylammm-master-deprecateda6b7299ddc2b996353886ec…

Apr 2 2013

Apr 1 2013

Mar 29 2013

Mar 28 2013

Mar 27 2013

Mar 26 2013

Mar 23 2013

Mar 22 2013

Mar 21 2013

Mar 20 2013

Mar 19 2013

Mar 17 2013

Mar 16 2013

Mar 15 2013

Mar 14 2013

Mar 13 2013

Mar 12 2013

Mar 11 2013

Mar 8 2013

Mar 7 2013

History
lammm-master-deprecateda6b7299ddc2b996353886ec…