Diffusion lammps (efficient_neuronet) History

lammps/src
efficient_neuronetaf85b837036b13e51287bf3…

Mar 10 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11621 f3b2605a-c512-4ea7…
91360a80a85d
·sjplimp on Mar 10 2014, 17:43.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11620 f3b2605a-c512-4ea7…
f7a3672c367b
·sjplimp on Mar 10 2014, 17:04.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11619 f3b2605a-c512-4ea7…
eeb3c26ddd5c
·sjplimp on Mar 10 2014, 17:04.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11618 f3b2605a-c512-4ea7…
bfc2b92e3202
·sjplimp on Mar 10 2014, 17:02.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11617 f3b2605a-c512-4ea7…
5e1d34a23d50
·sjplimp on Mar 10 2014, 16:56.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11616 f3b2605a-c512-4ea7…
3d6ac732ad59
·sjplimp on Mar 10 2014, 16:45.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11615 f3b2605a-c512-4ea7…
df0c8d061fa3
·sjplimp on Mar 10 2014, 16:42.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11614 f3b2605a-c512-4ea7…
de4737af3ae5
·sjplimp on Mar 10 2014, 16:40.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11610 f3b2605a-c512-4ea7…
99e6ed455467
·sjplimp on Mar 10 2014, 16:23.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11608 f3b2605a-c512-4ea7…
481778cb31ea
·sjplimp on Mar 10 2014, 16:18.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11606 f3b2605a-c512-4ea7…
0c22e8696abc
·sjplimp on Mar 10 2014, 15:59.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11604 f3b2605a-c512-4ea7…
88cd9113f091
·sjplimp on Mar 10 2014, 15:11.

Mar 7 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11603 f3b2605a-c512-4ea7…
a1db9a1aaa54
·sjplimp on Mar 7 2014, 01:23.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11602 f3b2605a-c512-4ea7…
15ecab91a303
·sjplimp on Mar 7 2014, 01:23.

Mar 6 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11597 f3b2605a-c512-4ea7…
37d3c55fca8e
·sjplimp on Mar 6 2014, 18:33.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11595 f3b2605a-c512-4ea7…
99c18a722fd6
·sjplimp on Mar 6 2014, 18:24.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11594 f3b2605a-c512-4ea7…
d7f0208ac9b7
·sjplimp on Mar 6 2014, 18:24.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11589 f3b2605a-c512-4ea7…
d1fce2720c95
·sjplimp on Mar 6 2014, 16:29.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11588 f3b2605a-c512-4ea7…
2bcf10827cc2
·sjplimp on Mar 6 2014, 16:28.

Mar 4 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11585 f3b2605a-c512-4ea7…
2b350aaab9e5
·sjplimp on Mar 4 2014, 17:48.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11584 f3b2605a-c512-4ea7…
f1e2227ed1cf
·sjplimp on Mar 4 2014, 17:45.

Mar 2 2014

implement CSVR thermostat as modification of fix temp/berendsen
d52900bb9d35
·Axel Kohlmeyer on Mar 2 2014, 20:59.

Feb 27 2014

reinstate code that needed to be deleted in upstream only
7ed4a5d48a5f
·Axel Kohlmeyer on Feb 27 2014, 12:59.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
53fef3f3a372
·Axel Kohlmeyer on Feb 27 2014, 12:58.
Merge branch 'lammps-icms' of bitbucket.org:akohlmey/lammps-icms into lammps…
c188f79e59d4
·Axel Kohlmeyer on Feb 27 2014, 00:01.
set frequency of global computed data explicitly, so regular LAMMPS doesn't…
a80d7e3fb351
·Axel Kohlmeyer on Feb 27 2014, 00:01.

Feb 26 2014

make the recentering displacement available as global scalar/vector
03da04c6672f
·Axel Kohlmeyer on Feb 26 2014, 21:44.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11579 f3b2605a-c512-4ea7…
467b97d7e03d
·sjplimp on Feb 26 2014, 17:14.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11578 f3b2605a-c512-4ea7…
1f01bb69b998
·sjplimp on Feb 26 2014, 17:10.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11577 f3b2605a-c512-4ea7…
cde0125c904c
·sjplimp on Feb 26 2014, 16:13.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11576 f3b2605a-c512-4ea7…
6e4e17769ef8
·sjplimp on Feb 26 2014, 16:08.
added untested draft of CSVR integrator
aca7c78c78b5
·Axel Kohlmeyer on Feb 26 2014, 15:58.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11575 f3b2605a-c512-4ea7…
1c892de66515
·sjplimp on Feb 26 2014, 15:50.

Feb 24 2014

bugfix for fix rigid/small reported from lammps-users
4d37cbf4edf4
·Axel Kohlmeyer on Feb 24 2014, 13:17.

Feb 22 2014

another little bugfix for using the molecule command
d955f384f914
·Axel Kohlmeyer on Feb 22 2014, 00:40.

Feb 20 2014

correction for a cut-n-paste bug when creating dihedrals and impropers
f584b8e9acd6
·Axel Kohlmeyer on Feb 20 2014, 23:12.

Feb 17 2014

bugfix from lammps-users for reax/c
dbb915b0be18
·Axel Kohlmeyer on Feb 17 2014, 21:12.
better checking of missing coeff entries in a data file
7da8f12d3386
·Axel Kohlmeyer on Feb 17 2014, 14:12.
undo bogus bugfix that unfixes a bugfix
2707ba954766
·Axel Kohlmeyer on Feb 17 2014, 13:53.
report OpenMP bug reported in msm/omp
83de2a63b679
·Axel Kohlmeyer on Feb 17 2014, 13:39.

Feb 15 2014

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
15f33d5a92d0
·Axel Kohlmeyer on Feb 15 2014, 15:43.

Feb 14 2014

move open_potential() from pair.cpp to force.cpp and extend to bonds/angles
61af28265478
·Axel Kohlmeyer on Feb 14 2014, 20:17.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11567 f3b2605a-c512-4ea7…
c68797380a60
·sjplimp on Feb 14 2014, 17:38.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11565 f3b2605a-c512-4ea7…
4833f14be891
·sjplimp on Feb 14 2014, 17:31.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11564 f3b2605a-c512-4ea7…
f3d97892b63d
·sjplimp on Feb 14 2014, 16:51.
fix typo in pair style kim
31022e212c2a
·Axel Kohlmeyer on Feb 14 2014, 04:02.

Feb 13 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11561 f3b2605a-c512-4ea7…
1a8ee73f0abc
·sjplimp on Feb 13 2014, 16:55.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
1a516b2ab224
·Axel Kohlmeyer on Feb 13 2014, 15:01.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11557 f3b2605a-c512-4ea7…
aed44ea997d4
·sjplimp on Feb 13 2014, 00:27.

Feb 12 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11541 f3b2605a-c512-4ea7…
9f902047ba28
·sjplimp on Feb 12 2014, 17:11.
white space cleanup
3c2f6b0ef445
·Axel Kohlmeyer on Feb 12 2014, 16:50.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11540 f3b2605a-c512-4ea7…
ef9af34f3225
·sjplimp on Feb 12 2014, 15:54.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
fdcefc5d1ba0
·Axel Kohlmeyer on Feb 12 2014, 14:16.
add a few more cases that should recognize $LAMMPS_POTENTIALS
7b433cf7a21e
·Axel Kohlmeyer on Feb 12 2014, 04:07.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11539 f3b2605a-c512-4ea7…
958a442bebbe
·sjplimp on Feb 12 2014, 02:07.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11538 f3b2605a-c512-4ea7…
4cb42cb26b4d
·sjplimp on Feb 12 2014, 01:59.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11537 f3b2605a-c512-4ea7…
9c33209b2df1
·sjplimp on Feb 12 2014, 01:36.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11536 f3b2605a-c512-4ea7…
cb23c438fc95
·sjplimp on Feb 12 2014, 01:35.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11535 f3b2605a-c512-4ea7…
aa0f65b373e6
·sjplimp on Feb 12 2014, 01:35.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11534 f3b2605a-c512-4ea7…
2da4b3a85fdc
·sjplimp on Feb 12 2014, 01:35.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11533 f3b2605a-c512-4ea7…
45224e6d89b4
·sjplimp on Feb 12 2014, 01:35.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11532 f3b2605a-c512-4ea7…
82833b729f28
·sjplimp on Feb 12 2014, 01:34.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11531 f3b2605a-c512-4ea7…
b28ce4b3bb9f
·sjplimp on Feb 12 2014, 01:34.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11530 f3b2605a-c512-4ea7…
afe7343b3780
·sjplimp on Feb 12 2014, 01:34.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11529 f3b2605a-c512-4ea7…
148140df27c0
·sjplimp on Feb 12 2014, 01:33.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11528 f3b2605a-c512-4ea7…
17a0a5eeb619
·sjplimp on Feb 12 2014, 01:33.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11527 f3b2605a-c512-4ea7…
001514ada269
·sjplimp on Feb 12 2014, 01:32.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11526 f3b2605a-c512-4ea7…
9ddbac1dd8e5
·sjplimp on Feb 12 2014, 01:32.

Feb 11 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11523 f3b2605a-c512-4ea7…
4c297a50a7e9
·sjplimp on Feb 11 2014, 17:29.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
0ad199801d73
·Axel Kohlmeyer on Feb 11 2014, 13:15.
fix the bug in read_data that steve unfixed
3518e803d510
·Axel Kohlmeyer on Feb 11 2014, 01:29.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11521 f3b2605a-c512-4ea7…
0064c5bcce03
·sjplimp on Feb 11 2014, 01:09.

Feb 10 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11518 f3b2605a-c512-4ea7…
895b2accac5e
·sjplimp on Feb 10 2014, 21:54.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11515 f3b2605a-c512-4ea7…
92d0ee3c326e
·sjplimp on Feb 10 2014, 21:44.

Feb 9 2014

various small cleanups and bugfixes found by checking warnings from clang
396e7165aebc
·Axel Kohlmeyer on Feb 9 2014, 23:47.

Feb 8 2014

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
f2cc64ee8b65
·Axel Kohlmeyer on Feb 8 2014, 16:31.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11514 f3b2605a-c512-4ea7…
63c9df46a94a
·sjplimp on Feb 8 2014, 00:41.

Feb 7 2014

add makefile for compilation with clang
5e1ba08d2374
·Axel Kohlmeyer on Feb 7 2014, 23:23.
fix some trivial formatting issues flagged by clang++
f1feacdafd31
·Axel Kohlmeyer on Feb 7 2014, 23:19.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11510 f3b2605a-c512-4ea7…
d560521674ac
·sjplimp on Feb 7 2014, 22:38.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11508 f3b2605a-c512-4ea7…
32cfbb4e0d59
·sjplimp on Feb 7 2014, 22:17.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11507 f3b2605a-c512-4ea7…
784d22952775
·sjplimp on Feb 7 2014, 22:17.
whitespace fixup
8defe5bf7479
·Axel Kohlmeyer on Feb 7 2014, 21:06.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
9bbaf62d2a08
·Axel Kohlmeyer on Feb 7 2014, 12:16.

Feb 6 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11497 f3b2605a-c512-4ea7…
c2ecffe05f0e
·sjplimp on Feb 6 2014, 17:27.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11495 f3b2605a-c512-4ea7…
9302646a0d56
·sjplimp on Feb 6 2014, 17:21.
Merge branch 'lammps-icms' of bitbucket.org:akohlmey/lammps-icms into lammps…
8c533314aeae
·Axel Kohlmeyer on Feb 6 2014, 14:35.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
2fcb0a3e9216
·Axel Kohlmeyer on Feb 6 2014, 13:50.

Feb 5 2014

bugfix from ray shan from lammps-users
9f4252281425
·Axel Kohlmeyer on Feb 5 2014, 22:53.
second part of the bugfix for fix bond/create
29d93bb1a526
·Axel Kohlmeyer on Feb 5 2014, 22:52.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11491 f3b2605a-c512-4ea7…
80e9c1ad9f11
·sjplimp on Feb 5 2014, 22:45.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11490 f3b2605a-c512-4ea7…
f7567263838b
·sjplimp on Feb 5 2014, 22:31.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11489 f3b2605a-c512-4ea7…
69fe36d48d9f
·sjplimp on Feb 5 2014, 22:31.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11485 f3b2605a-c512-4ea7…
47afa76346e2
·sjplimp on Feb 5 2014, 20:39.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11482 f3b2605a-c512-4ea7…
e78efeee6a38
·sjplimp on Feb 5 2014, 20:38.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11477 f3b2605a-c512-4ea7…
fd442139b683
·sjplimp on Feb 5 2014, 18:31.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11476 f3b2605a-c512-4ea7…
76e7a949bdf6
·sjplimp on Feb 5 2014, 18:30.
fix first part of the bug reported by simon gravelle
67cca89924fa
·Axel Kohlmeyer on Feb 5 2014, 17:47.
correct error message
24595377e197
·Axel Kohlmeyer on Feb 5 2014, 15:00.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
a82962baef0c
·Axel Kohlmeyer on Feb 5 2014, 14:59.

lammps/srcefficient_neuronetaf85b837036b13e51287bf3…

Mar 10 2014

Mar 7 2014

Mar 6 2014

Mar 4 2014

Mar 2 2014

Feb 27 2014

Feb 26 2014

Feb 24 2014

Feb 22 2014

Feb 20 2014

Feb 17 2014

Feb 15 2014

Feb 14 2014

Feb 13 2014

Feb 12 2014

Feb 11 2014

Feb 10 2014

Feb 9 2014

Feb 8 2014

Feb 7 2014

Feb 6 2014

Feb 5 2014

lammps/src
efficient_neuronetaf85b837036b13e51287bf3…