Diffusion lammps (efficient_neuronet) History

lammps/src
efficient_neuronetaf85b837036b13e51287bf3…

Sep 25 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12547 f3b2605a-c512-4ea7…
56c532d58555
·sjplimp on Sep 25 2014, 21:55.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12546 f3b2605a-c512-4ea7…
c720fca727e9
·sjplimp on Sep 25 2014, 21:26.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12545 f3b2605a-c512-4ea7…
19229e55725b
·sjplimp on Sep 25 2014, 20:32.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12544 f3b2605a-c512-4ea7…
deb5b7c9870d
·sjplimp on Sep 25 2014, 20:19.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12543 f3b2605a-c512-4ea7…
0dd4b6580fef
·sjplimp on Sep 25 2014, 17:48.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12542 f3b2605a-c512-4ea7…
dda702c5f952
·sjplimp on Sep 25 2014, 17:34.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12540 f3b2605a-c512-4ea7…
b0861454f53b
·sjplimp on Sep 25 2014, 17:34.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12539 f3b2605a-c512-4ea7…
07e74523384b
·sjplimp on Sep 25 2014, 17:34.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12538 f3b2605a-c512-4ea7…
0928f2338162
·sjplimp on Sep 25 2014, 17:33.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
190974a167ba
·Axel Kohlmeyer on Sep 25 2014, 17:23.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12537 f3b2605a-c512-4ea7…
f64853170bb6
·sjplimp on Sep 25 2014, 00:14.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12536 f3b2605a-c512-4ea7…
9482ac8cfe75
·sjplimp on Sep 25 2014, 00:04.

Sep 24 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12535 f3b2605a-c512-4ea7…
53467a25ef19
·sjplimp on Sep 24 2014, 23:43.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12534 f3b2605a-c512-4ea7…
f62127f3739d
·sjplimp on Sep 24 2014, 22:00.
Made line quadratic default and changed backtrack alpha zero check to be more…
463db5858357
·athomps on Sep 24 2014, 02:45.
Fixing a bug in the kspace error estimator for triclinic systems
f45b388d1246
·stamoor on Sep 24 2014, 00:29.

Sep 23 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12528 f3b2605a-c512-4ea7…
5d12a8fdab22
·sjplimp on Sep 23 2014, 21:09.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12526 f3b2605a-c512-4ea7…
80c69a6b5654
·sjplimp on Sep 23 2014, 15:39.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12525 f3b2605a-c512-4ea7…
c560bd50cb16
·sjplimp on Sep 23 2014, 01:41.

Sep 20 2014

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
3091e09e61c6
·Axel Kohlmeyer on Sep 20 2014, 19:20.

Sep 19 2014

Updated diagnostics
45223c452c84
·athomps on Sep 19 2014, 00:44.
Changed comment
7ce215970b4b
·athomps on Sep 19 2014, 00:41.

Sep 18 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12521 f3b2605a-c512-4ea7…
d76a263ca74b
·sjplimp on Sep 18 2014, 17:59.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12518 f3b2605a-c512-4ea7…
bda37b7c9873
·sjplimp on Sep 18 2014, 16:39.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12515 f3b2605a-c512-4ea7…
4ce180cbe2a3
·sjplimp on Sep 18 2014, 16:25.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12513 f3b2605a-c512-4ea7…
39373a22c3b5
·sjplimp on Sep 18 2014, 16:24.
Merge remote branch 'lammps-ro/master' into lammps-icms
715e7685edcf
·Axel Kohlmeyer on Sep 18 2014, 15:52.

Sep 17 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12512 f3b2605a-c512-4ea7…
e17948a19545
·sjplimp on Sep 17 2014, 19:23.

Sep 13 2014

align help output format
fab9de6eb305
·Axel Kohlmeyer on Sep 13 2014, 15:09.
remove some dead code in SNAP potential implementation
3bc2efeb8c4d
·Axel Kohlmeyer on Sep 13 2014, 15:07.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
13985955e6a2
·Axel Kohlmeyer on Sep 13 2014, 14:56.
import r-RESPA compatible fix recenter from mailing list
71993fa5c7a7
·Axel Kohlmeyer on Sep 13 2014, 10:35.
Added LAMMPS headers
ed9b130d6e40
·athomps on Sep 13 2014, 00:55.

Sep 12 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12507 f3b2605a-c512-4ea7…
16864ce4e3c7
·sjplimp on Sep 12 2014, 19:29.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12506 f3b2605a-c512-4ea7…
4dd1b4fc6534
·sjplimp on Sep 12 2014, 19:28.
Merge remote branch 'lammps-ro/master' into lammps-icms
e162a292b673
·Axel Kohlmeyer on Sep 12 2014, 13:07.

Sep 11 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12500 f3b2605a-c512-4ea7…
1ddb9ab14852
·sjplimp on Sep 11 2014, 22:44.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12483 f3b2605a-c512-4ea7…
fb2b228ac987
·sjplimp on Sep 11 2014, 17:43.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12481 f3b2605a-c512-4ea7…
853f7be70012
·sjplimp on Sep 11 2014, 16:52.
Merge remote branch 'lammps-ro/master' into lammps-icms
052a84f81d89
·Axel Kohlmeyer on Sep 11 2014, 13:44.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12480 f3b2605a-c512-4ea7…
90d0ffba1dd2
·sjplimp on Sep 11 2014, 00:46.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12479 f3b2605a-c512-4ea7…
7f8da4e667ec
·sjplimp on Sep 11 2014, 00:16.

Sep 10 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12478 f3b2605a-c512-4ea7…
5c05d14e2133
·sjplimp on Sep 10 2014, 23:44.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12477 f3b2605a-c512-4ea7…
502ef1f93143
·sjplimp on Sep 10 2014, 23:06.
additional bugfix from daniel
d76e6e3fa34f
·Axel Kohlmeyer on Sep 10 2014, 22:46.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12474 f3b2605a-c512-4ea7…
58a11d6bc2eb
·sjplimp on Sep 10 2014, 21:39.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12471 f3b2605a-c512-4ea7…
0eb045dc6a13
·sjplimp on Sep 10 2014, 19:30.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12470 f3b2605a-c512-4ea7…
fbad8a44c845
·sjplimp on Sep 10 2014, 19:30.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12469 f3b2605a-c512-4ea7…
8a80ed461256
·sjplimp on Sep 10 2014, 19:12.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12468 f3b2605a-c512-4ea7…
7728d4ecea7a
·sjplimp on Sep 10 2014, 18:40.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12467 f3b2605a-c512-4ea7…
2424201d960f
·sjplimp on Sep 10 2014, 18:30.
reintroduce 64-bit pointer bugfix for compute voronoi/atom
3267e4972230
·Axel Kohlmeyer on Sep 10 2014, 15:06.
Merge remote branch 'lammps-ro/master' into lammps-icms
d52414244a9c
·Axel Kohlmeyer on Sep 10 2014, 14:54.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12463 f3b2605a-c512-4ea7…
f864979cdd9b
·sjplimp on Sep 10 2014, 00:52.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12459 f3b2605a-c512-4ea7…
f9684d5076fc
·sjplimp on Sep 10 2014, 00:33.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12458 f3b2605a-c512-4ea7…
4374200a779e
·sjplimp on Sep 10 2014, 00:30.

Sep 9 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12457 f3b2605a-c512-4ea7…
b57945c40e38
·sjplimp on Sep 9 2014, 23:15.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12455 f3b2605a-c512-4ea7…
b843c808a503
·sjplimp on Sep 9 2014, 21:23.
Changed optimized default to 1
4f3c884aaac3
·athomps on Sep 9 2014, 19:12.
make optimized the default. stronger argument checking.
adcd5949c794
·Axel Kohlmeyer on Sep 9 2014, 18:45.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12452 f3b2605a-c512-4ea7…
334f57f7f3ea
·sjplimp on Sep 9 2014, 18:37.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12449 f3b2605a-c512-4ea7…
ac246386d0dd
·sjplimp on Sep 9 2014, 17:01.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12448 f3b2605a-c512-4ea7…
e898a2c91b33
·sjplimp on Sep 9 2014, 16:20.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12447 f3b2605a-c512-4ea7…
c9c83405ab90
·sjplimp on Sep 9 2014, 15:59.
update list of files to ignore
76de3ce36a37
·Axel Kohlmeyer on Sep 9 2014, 14:46.
more SNAP cleanup. respect $LAMMPS_POTENTIALS. fix memory leak.
db16ce277a8e
·Axel Kohlmeyer on Sep 9 2014, 14:45.
remove dead code and fix printf format error
b6bef976ba5d
·Axel Kohlmeyer on Sep 9 2014, 14:33.
Merge remote branch 'lammps-ro/master' into lammps-icms
f977c2663f1b
·Axel Kohlmeyer on Sep 9 2014, 13:21.

Sep 8 2014

Added Axel's changes to the OMP parts
1a4c75e8e57b
·athomps on Sep 8 2014, 20:25.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12443 f3b2605a-c512-4ea7…
96732223f85f
·sjplimp on Sep 8 2014, 18:53.
Merge branch 'lammps-icms' of bitbucket.org:akohlmey/lammps-icms into lammps…
a03b2c0add50
·Axel Kohlmeyer on Sep 8 2014, 18:51.
bugfix for issue reported on lammps-users by mike skarlinski
dddce684e11f
·Axel Kohlmeyer on Sep 8 2014, 18:51.
import update by Daniel Schwen posted on lammps-users
486b7a6f9008
·Axel Kohlmeyer on Sep 8 2014, 18:50.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12434 f3b2605a-c512-4ea7…
a0b94e9053fa
·sjplimp on Sep 8 2014, 17:44.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12433 f3b2605a-c512-4ea7…
bcb5c5a6e515
·sjplimp on Sep 8 2014, 17:40.

Sep 7 2014

update list of ignored files
b478aebd4aeb
·Axel Kohlmeyer on Sep 7 2014, 21:56.
remove broken files that are not likely to be completed
dc3d8189c792
·Axel Kohlmeyer on Sep 7 2014, 21:52.

Sep 6 2014

fix out-of-bound array access for triclinic boxes
ae4503e6a6c4
·Axel Kohlmeyer on Sep 6 2014, 18:30.
clean up SNAP implementation to compile cleanly with OpenMP and without
f0dc64c8157f
·Axel Kohlmeyer on Sep 6 2014, 18:29.
Merge remote branch 'lammps-ro/master' into lammps-icms
d12eca24b839
·Axel Kohlmeyer on Sep 6 2014, 15:25.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12429 f3b2605a-c512-4ea7…
d4e1503e81fb
·sjplimp on Sep 6 2014, 01:39.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12425 f3b2605a-c512-4ea7…
af21769abebf
·sjplimp on Sep 6 2014, 01:16.

Sep 5 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12417 f3b2605a-c512-4ea7…
f29fa0abfb99
·sjplimp on Sep 5 2014, 23:40.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12416 f3b2605a-c512-4ea7…
f05bbe48ae12
·sjplimp on Sep 5 2014, 22:31.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12413 f3b2605a-c512-4ea7…
ed06a4859ee3
·sjplimp on Sep 5 2014, 17:31.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12412 f3b2605a-c512-4ea7…
2a24e947f5d1
·sjplimp on Sep 5 2014, 17:30.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12411 f3b2605a-c512-4ea7…
1fc5efe31e17
·sjplimp on Sep 5 2014, 17:27.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12410 f3b2605a-c512-4ea7…
4a95e6911174
·sjplimp on Sep 5 2014, 17:27.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12409 f3b2605a-c512-4ea7…
31509b75280e
·sjplimp on Sep 5 2014, 17:06.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12406 f3b2605a-c512-4ea7…
777e82995de2
·sjplimp on Sep 5 2014, 16:42.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12405 f3b2605a-c512-4ea7…
f6c0d4fec3e9
·sjplimp on Sep 5 2014, 16:39.
another one-line fix for compiling USER-CUDA
fcc58a2b65f3
·Axel Kohlmeyer on Sep 5 2014, 13:08.
try to fix USER-CUDA compile time error
c5b97753e28e
·Axel Kohlmeyer on Sep 5 2014, 09:20.
import the latest USER-INTEL updates from mike brown
cc2d0fa680c2
·Axel Kohlmeyer on Sep 5 2014, 00:46.

Sep 2 2014

workaround for occasional neighborlists with GPU pair_styles
5eae3037f631
·Axel Kohlmeyer on Sep 2 2014, 19:09.
Merge remote branch 'lammps-ro/master' into lammps-icms
5686267236db
·Axel Kohlmeyer on Sep 2 2014, 16:09.

Sep 1 2014

import GPU support fix for USER-FEP from trung
e4cfa1863b97
·Axel Kohlmeyer on Sep 1 2014, 18:56.

Aug 29 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12383 f3b2605a-c512-4ea7…
d01c12f754ee
·sjplimp on Aug 29 2014, 21:27.
make check for charge property consistent across the two reaxff implementations
cb96e492e504
·Axel Kohlmeyer on Aug 29 2014, 21:18.
fix bug with inconsistent counting of deleted dihedrals.
5ce0ccaa23d9
·Axel Kohlmeyer on Aug 29 2014, 21:00.

lammps/srcefficient_neuronetaf85b837036b13e51287bf3…

Sep 25 2014

Sep 24 2014

Sep 23 2014

Sep 20 2014

Sep 19 2014

Sep 18 2014

Sep 17 2014

Sep 13 2014

Sep 12 2014

Sep 11 2014

Sep 10 2014

Sep 9 2014

Sep 8 2014

Sep 7 2014

Sep 6 2014

Sep 5 2014

Sep 2 2014

Sep 1 2014

Aug 29 2014

lammps/src
efficient_neuronetaf85b837036b13e51287bf3…