Diffusion lammps (efficient_neuronet) History

lammps/examples/USER
efficient_neuronet51072805199bdd7f6603cec…

Aug 6 2015

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
51072805199b
·Axel Kohlmeyer on Aug 6 2015, 06:51.

Aug 4 2015

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13834 f3b2605a-c512-4ea7…
7e1de6da045e
·sjplimp on Aug 4 2015, 22:57.

Jul 28 2015

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
6c8830b82800
·Axel Kohlmeyer on Jul 28 2015, 19:26.

Jul 27 2015

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13738 f3b2605a-c512-4ea7…
9ed741e90404
·sjplimp on Jul 27 2015, 20:12.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13729 f3b2605a-c512-4ea7…
3dfb44659028
·sjplimp on Jul 27 2015, 16:57.

Jul 23 2015

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
7af18596a18f
·Axel Kohlmeyer on Jul 23 2015, 12:26.

Jul 22 2015

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13682 f3b2605a-c512-4ea7…
6864dfa2d184
·sjplimp on Jul 22 2015, 17:52.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13674 f3b2605a-c512-4ea7…
63802b7688c7
·sjplimp on Jul 22 2015, 17:26.

May 15 2015

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13464 f3b2605a-c512-4ea7…
c3fd41010d41
·sjplimp on May 15 2015, 18:33.
update to USER-FEP docs and examples
21db4bc68c68
·Axel Kohlmeyer on May 15 2015, 06:59.

Feb 25 2015

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
09bb220083c5
·Axel Kohlmeyer on Feb 25 2015, 23:03.

Feb 24 2015

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13150 f3b2605a-c512-4ea7…
cb912c19546c
·sjplimp on Feb 24 2015, 17:28.

Dec 1 2014

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
74ba3d309508
·Axel Kohlmeyer on Dec 1 2014, 17:27.

Nov 26 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12800 f3b2605a-c512-4ea7…
6d4200ec4546
·sjplimp on Nov 26 2014, 17:05.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12799 f3b2605a-c512-4ea7…
1bfeda4e3e0f
·sjplimp on Nov 26 2014, 17:04.

Nov 25 2014

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
475aa20270a7
·Axel Kohlmeyer on Nov 25 2014, 21:01.

Nov 24 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12786 f3b2605a-c512-4ea7…
6f94c97e48a2
·sjplimp on Nov 24 2014, 20:52.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12784 f3b2605a-c512-4ea7…
223eea151072
·sjplimp on Nov 24 2014, 20:38.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12772 f3b2605a-c512-4ea7…
a52ad2d6dda1
·sjplimp on Nov 24 2014, 18:14.

Nov 21 2014

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
72bf576c1a67
·Axel Kohlmeyer on Nov 21 2014, 16:05.

Nov 20 2014

ATC version 2.0, date: Nov20
d845ef5e8f48
·jatempl on Nov 20 2014, 19:59.

Nov 6 2014

update colvars example outputs
7d179faa17de
·Axel Kohlmeyer on Nov 6 2014, 22:46.

Oct 29 2014

update reference log file for colvars examples
aa9c30ae9956
·Axel Kohlmeyer on Oct 29 2014, 23:35.

Oct 27 2014

include histogram output in metadynamics example
fa9c01c701b0
·Axel Kohlmeyer on Oct 27 2014, 19:53.

Oct 26 2014

update colvars reference log files with current LAMMPS/colvars version
c841d1dcb06e
·Axel Kohlmeyer on Oct 26 2014, 09:46.

Oct 25 2014

simple input examples for testing more colvars use cases for syntax and files…
a8a95efae3e7
·Axel Kohlmeyer on Oct 25 2014, 16:36.

Sep 27 2014

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
9dd1fd29b218
·Axel Kohlmeyer on Sep 27 2014, 12:34.

Sep 26 2014

Fixing broken basal example
bf8b5e4d630a
·stamoor on Sep 26 2014, 19:00.
Fixing broken USER-EFF example
62c95d86a8dc
·stamoor on Sep 26 2014, 16:57.

Sep 12 2014

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@12494 f3b2605a-c512-4ea7…
bbc60e3aefaa
·sjplimp on Sep 11 2014, 18:54.

Aug 12 2014

overhaul of fix ipi to be more consistent with LAMMPS programming conventions
dbc55a403f74
·Axel Kohlmeyer on Aug 12 2014, 17:33.
include example for i-PI use with fix ipi
f78d0004f3be
·Axel Kohlmeyer on Aug 12 2014, 00:00.

Aug 5 2014

clean up reading of C matrix and fix missing scaling bug
57b8a339eb7e
·Axel Kohlmeyer on Aug 5 2014, 07:51.
cleaned up code some. doesn't seem to fully work yet.
8821eb0518c9
·Axel Kohlmeyer on Aug 5 2014, 07:14.
update input examples to be more similar to other LAMMPS examples
c46236d70686
·Axel Kohlmeyer on Aug 5 2014, 05:09.
import updated GLE fix from michele ceriotti
ff3961492620
·Axel Kohlmeyer on Aug 5 2014, 04:17.

Jun 24 2014

import colored langevin thermostat package from michele ceriotti
86d4432ff882
·Axel Kohlmeyer on Jun 24 2014, 00:15.

Jun 11 2014

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
063fae8961fb
·Axel Kohlmeyer on Jun 11 2014, 12:15.

Jun 10 2014

Fixing more broken USER-EFF examples
7e1c6ccfac6f
·stamoor on Jun 10 2014, 20:17.
Fixing broken USER-EFF examples
fcb81d2b48e5
·stamoor on Jun 10 2014, 19:00.
Updating USER-EFF examples to use compute property/atom
00db690e6437
·stamoor on Jun 10 2014, 18:07.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12107 f3b2605a-c512-4ea7…
28b9fa375408
·sjplimp on Jun 10 2014, 17:03.

Jun 8 2014

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
1ee7cb100d97
·Axel Kohlmeyer on Jun 8 2014, 01:29.

Jun 5 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12089 f3b2605a-c512-4ea7…
8dad71810cf4
·sjplimp on Jun 5 2014, 14:52.

May 14 2014

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
f9f7283fa5c5
·Axel Kohlmeyer on May 14 2014, 13:18.

May 13 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11983 f3b2605a-c512-4ea7…
f9864c81e0eb
·sjplimp on May 13 2014, 18:17.

May 10 2014

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
24fb679e5579
·Axel Kohlmeyer on May 10 2014, 23:15.

May 9 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11956 f3b2605a-c512-4ea7…
944b898d7128
·sjplimp on May 9 2014, 17:35.

May 2 2014

remove redundant files
86843200fdca
·Axel Kohlmeyer on May 2 2014, 22:24.

Apr 24 2014

update examples for USER-FEP
99f9652c492a
·Axel Kohlmeyer on Apr 24 2014, 23:46.

Apr 21 2014

reworked USER-FEP code to emit less warnings and be USER-OMP compatible
e04545e26d80
·Axel Kohlmeyer on Apr 21 2014, 23:16.

Apr 18 2014

add files missing from previous import of the project
89044ec1f89e
·Axel Kohlmeyer on Apr 18 2014, 20:43.
import USER-FEP package from https://github.com/agiliopadua/compute_fep
69c06791a580
·Axel Kohlmeyer on Apr 18 2014, 20:35.

Apr 16 2014

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
0a1f876f4e42
·Axel Kohlmeyer on Apr 16 2014, 00:13.

Apr 14 2014

Fixed broken basal example
1f0a6ae006ad
·stamoor on Apr 14 2014, 23:24.
Fixed broken examples by adding NULL after stess/atom commands
532a4e66fb6b
·stamoor on Apr 14 2014, 23:08.

Apr 9 2014

Merge remote branch 'lammps-ro/master' into lammps-icms
f8daecd639f4
·Axel Kohlmeyer on Apr 9 2014, 13:49.

Apr 8 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11737 f3b2605a-c512-4ea7…
0b8bc83b4b9f
·sjplimp on Apr 8 2014, 18:57.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11736 f3b2605a-c512-4ea7…
a683e4f52d6f
·sjplimp on Apr 8 2014, 18:56.
Merge remote branch 'lammps-ro/master' into lammps-icms
fb3a956155f4
·Axel Kohlmeyer on Apr 8 2014, 12:56.

Apr 7 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11730 f3b2605a-c512-4ea7…
23a0a72df1cd
·sjplimp on Apr 7 2014, 21:50.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11729 f3b2605a-c512-4ea7…
fe1d916552d2
·sjplimp on Apr 7 2014, 21:50.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11728 f3b2605a-c512-4ea7…
4f41258f5d81
·sjplimp on Apr 7 2014, 21:46.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11727 f3b2605a-c512-4ea7…
ea0dc9196302
·sjplimp on Apr 7 2014, 21:46.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11726 f3b2605a-c512-4ea7…
944ffff4a9c8
·sjplimp on Apr 7 2014, 21:46.

Apr 5 2014

update the colvars example
dd00335813d7
·Axel Kohlmeyer on Apr 5 2014, 11:11.
add lj/sdk example with charges
ca7db502def3
·Axel Kohlmeyer on Apr 5 2014, 11:10.
update the PEG-C12E8 CG-CMM example for current LAMMPS version
4dae1d2d3b5d
·Axel Kohlmeyer on Apr 5 2014, 08:41.

Mar 25 2014

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
f80390891928
·Axel Kohlmeyer on Mar 25 2014, 16:10.

Mar 24 2014

in development : not for release
2fb6f59c9f68
·rjones on Mar 24 2014, 22:00.

Nov 9 2013

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
2e8da581f283
·Axel Kohlmeyer on Nov 9 2013, 10:55.

Nov 7 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10990 f3b2605a-c512-4ea7…
bb589062a32b
·sjplimp on Nov 7 2013, 21:07.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10989 f3b2605a-c512-4ea7…
5c9784336738
·sjplimp on Nov 7 2013, 21:05.

Nov 5 2013

Merge remote branch 'lammps-ro/master' into lammps-icms
dc1278ee51e6
·Axel Kohlmeyer on Nov 5 2013, 13:37.

Nov 4 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10956 f3b2605a-c512-4ea7…
90a2bccf8379
·sjplimp on Nov 4 2013, 21:54.

Oct 2 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10846 f3b2605a-c512-4ea7…
ada81ca2e055
·sjplimp on Oct 2 2013, 15:29.

Sep 29 2013

update the input for current LAMMPS
78474bfe023c
·Axel Kohlmeyer on Sep 29 2013, 18:32.

Sep 13 2013

Merge remote branch 'lammps-ro/master' into lammps-icms
00d9f400ba98
·Axel Kohlmeyer on Sep 13 2013, 12:43.

Sep 12 2013

Removing "stdout" files
3d6369b7f526
·jzimmer on Sep 12 2013, 21:52.

Sep 5 2013

Merge remote branch 'lammps-ro/master' into lammps-icms
b46ddebe3eef
·Axel Kohlmeyer on Sep 5 2013, 14:02.

Sep 1 2013

ATC version 2.0, date: Sep1
5302074b3f8e
·rjones on Sep 1 2013, 10:07.

Aug 29 2013

Merge remote branch 'lammps-ro/master' into lammps-icms
2c30d74d8d0d
·Axel Kohlmeyer on Aug 29 2013, 16:14.
ATC version 2.0, date: Aug28
07e3b8c7d7d8
·rjones on Aug 29 2013, 00:16.

Aug 23 2013

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
1ca6fb0f8160
·Axel Kohlmeyer on Aug 23 2013, 13:31.
ATC version 2.0, date: Aug22
31b31f0a6ae6
·rjones on Aug 23 2013, 02:14.
not for release
eacdc7e58c63
·rjones on Aug 23 2013, 01:54.
ATC version 2.0, date: Aug22
a04f267b5449
·jzimmer on Aug 23 2013, 01:31.

Aug 22 2013

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
6297a32d9b46
·Axel Kohlmeyer on Aug 22 2013, 13:04.
Including info on cauchy_born examples.
2b9951bf5640
·jzimmer on Aug 22 2013, 02:22.
ATC version 2.0, date: Aug21
b22a8a7b61a5
·rjones on Aug 22 2013, 01:06.
Updated to current set of examples.
7d0fe14fdb33
·jatempl on Aug 22 2013, 00:57.
obsolete
2d63313b2479
·rjones on Aug 22 2013, 00:49.

Aug 14 2013

remove log file
546d3c4e6196
·rjones on Aug 14 2013, 03:55.

Aug 13 2013

remove unwanted file
8bbf508fb010
·Axel Kohlmeyer on Aug 13 2013, 06:27.

Aug 8 2013

Merge remote-tracking branch 'lammps-ro/master' into atc-merge
c931a450c093
·Axel Kohlmeyer on Aug 8 2013, 14:02.

Aug 7 2013

ATC version 2.0, date: Aug7
2629a8389dae
·rjones on Aug 7 2013, 23:34.
ATC version 2.0, date: Aug7
666de878addc
·rjones on Aug 7 2013, 23:29.

Jul 31 2013

Merge remote branch 'lammps-ro/master' into lammps-icms
77f06b1dfec1
·Axel Kohlmeyer on Jul 31 2013, 14:39.

Jul 30 2013

test if I can commit
13b38d09e55e
·rjones on Jul 30 2013, 23:52.