Diffusion lammps (efficient_neuronet) History

lammps/src
efficient_neuronet1822bd92e69761581f2b8a2…

Mar 26 2013

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@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@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@9701 f3b2605a-c512-4ea7…
a289ce92d7a9
·sjplimp on Mar 21 2013, 18:36.
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@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 19 2013

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 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@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@9690 f3b2605a-c512-4ea7…
32f9bf830620
·sjplimp on Mar 14 2013, 17:46.
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.

Mar 13 2013

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@9660 f3b2605a-c512-4ea7…
b78c4aa84167
·sjplimp on Mar 13 2013, 16:36.
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.

Mar 12 2013

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
8a912603a5f0
·Axel Kohlmeyer on Mar 12 2013, 18:44.

Mar 11 2013

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@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@9626 f3b2605a-c512-4ea7…
5ce9fbe0baf6
·sjplimp on Mar 11 2013, 15:53.

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.

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@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@9616 f3b2605a-c512-4ea7…
b795be4ee4ad
·sjplimp on Mar 7 2013, 22:26.
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.
bug fix for many processors domains where i or j can become -1
6f64cf2a189a
·Axel Kohlmeyer on Mar 7 2013, 19:11.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9609 f3b2605a-c512-4ea7…
1dc3bee64c15
·sjplimp on Mar 7 2013, 18:45.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9606 f3b2605a-c512-4ea7…
bc6f0b436a4a
·sjplimp on Mar 7 2013, 18:43.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9605 f3b2605a-c512-4ea7…
9f2a3147f107
·sjplimp on Mar 7 2013, 18:33.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9604 f3b2605a-c512-4ea7…
91b76139603a
·sjplimp on Mar 7 2013, 18:32.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9603 f3b2605a-c512-4ea7…
3d25c94f337d
·sjplimp on Mar 7 2013, 18:24.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9602 f3b2605a-c512-4ea7…
20ad5bdda326
·sjplimp on Mar 7 2013, 17:16.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9601 f3b2605a-c512-4ea7…
0316286abba2
·sjplimp on Mar 7 2013, 16:50.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9600 f3b2605a-c512-4ea7…
e21af691be96
·sjplimp on Mar 7 2013, 16:38.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9599 f3b2605a-c512-4ea7…
7309370570ce
·sjplimp on Mar 7 2013, 16:35.
Merge remote branch 'lammps-ro/master' into lammps-icms
7f258bf917b0
·Axel Kohlmeyer on Mar 7 2013, 13:30.

Mar 6 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9598 f3b2605a-c512-4ea7…
d296cb9eb106
·pscrozi on Mar 6 2013, 22:33.
Optimizations to kspace_style MSM, including improving the single-core…
ed72c6c5ae87
·pscrozi on Mar 6 2013, 22:12.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9596 f3b2605a-c512-4ea7…
a3d29c1665c5
·pscrozi on Mar 6 2013, 20:58.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9595 f3b2605a-c512-4ea7…
70fbc16e7da8
·sjplimp on Mar 6 2013, 18:42.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9590 f3b2605a-c512-4ea7…
72c9d2d11f04
·sjplimp on Mar 6 2013, 18:20.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9589 f3b2605a-c512-4ea7…
f611f9a58f6e
·sjplimp on Mar 6 2013, 18:18.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9588 f3b2605a-c512-4ea7…
5404f3c1b557
·sjplimp on Mar 6 2013, 18:17.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9587 f3b2605a-c512-4ea7…
db2aafd8f46e
·sjplimp on Mar 6 2013, 18:17.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9586 f3b2605a-c512-4ea7…
dfd6d4b943bd
·sjplimp on Mar 6 2013, 18:14.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9585 f3b2605a-c512-4ea7…
986c317c5d55
·sjplimp on Mar 6 2013, 17:52.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9583 f3b2605a-c512-4ea7…
18a04f2c5c8f
·sjplimp on Mar 6 2013, 17:44.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9582 f3b2605a-c512-4ea7…
ead9fe70299a
·sjplimp on Mar 6 2013, 17:44.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9581 f3b2605a-c512-4ea7…
adb129fe991d
·sjplimp on Mar 6 2013, 17:44.
Merge remote branch 'lammps-ro/master' into lammps-icms
6a7392d497f1
·Axel Kohlmeyer on Mar 6 2013, 12:13.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9580 f3b2605a-c512-4ea7…
f4b458219d63
·sjplimp on Mar 6 2013, 01:24.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9579 f3b2605a-c512-4ea7…
df0ad75e6b15
·sjplimp on Mar 6 2013, 01:24.

Mar 5 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9578 f3b2605a-c512-4ea7…
fd612bb39329
·sjplimp on Mar 5 2013, 22:15.
bugfix from rolf
052c06dd11a8
·Axel Kohlmeyer on Mar 5 2013, 19:30.
fix author attribution
556facf70745
·Axel Kohlmeyer on Mar 5 2013, 13:25.
Merge remote branch 'lammps-ro/master' into lammps-icms
115df8a11649
·Axel Kohlmeyer on Mar 5 2013, 13:25.
add /omp version of lj/cut/tip4p/cut
4be41208c17c
·Axel Kohlmeyer on Mar 5 2013, 11:02.
fix up permissions
ceec8056fd3d
·Axel Kohlmeyer on Mar 5 2013, 09:53.
rename lj/cut/coul/cut/tip4p to lj/cut/tip4p/cut
872f4707451c
·Axel Kohlmeyer on Mar 5 2013, 09:52.
added pair style lj/cut/coul/cut/tip4p by wayne mitchell
4276fda7efb2
·Axel Kohlmeyer on Mar 5 2013, 09:45.
workaround for Atom class member dereference segfaults
eeca2c894f76
·Axel Kohlmeyer on Mar 5 2013, 08:10.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9575 f3b2605a-c512-4ea7…
28bcd038af48
·sjplimp on Mar 5 2013, 01:18.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9572 f3b2605a-c512-4ea7…
1fe23b30417a
·sjplimp on Mar 5 2013, 01:13.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9569 f3b2605a-c512-4ea7…
d4b33beba9ff
·sjplimp on Mar 5 2013, 01:05.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9568 f3b2605a-c512-4ea7…
b116401f4da2
·sjplimp on Mar 5 2013, 01:00.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9567 f3b2605a-c512-4ea7…
a746d1ce48c6
·sjplimp on Mar 5 2013, 01:00.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9566 f3b2605a-c512-4ea7…
a5c6bfb1c587
·sjplimp on Mar 5 2013, 00:09.

Mar 4 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9563 f3b2605a-c512-4ea7…
561b3086f8fb
·sjplimp on Mar 4 2013, 22:43.
Removed reax/c time-averaging. Replaced integers with chemical symbols in…
cc237b52a6d1
·athomps on Mar 4 2013, 19:43.
reorder members for better alignment
b5b99ff5798d
·Axel Kohlmeyer on Mar 4 2013, 17:57.
reintroduce changes by steve
13433cf6744a
·Axel Kohlmeyer on Mar 4 2013, 17:57.

Mar 3 2013

small tweak to aid the compiler
33654cc10338
·Axel Kohlmeyer on Mar 3 2013, 01:51.
add new pair style that can handle individual pairs of atoms
c146857aee20
·Axel Kohlmeyer on Mar 3 2013, 01:51.

Mar 1 2013

include lj/long/coul/long versions with respa support
73d3ce64072a
·Axel Kohlmeyer on Mar 1 2013, 23:24.