Diffusion lammps (lammm-devel) History

lammps/examples/USER
lammm-devel9dd1fd29b218a2e2038d4a0…

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.

Jul 27 2013

Merge remote branch 'lammps-ro/master' into lammps-icms
9550535392c7
·Axel Kohlmeyer on Jul 27 2013, 12:34.

Jul 26 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10409 f3b2605a-c512-4ea7…
b12b9fced98e
·sjplimp on Jul 26 2013, 17:38.

May 24 2013

improvements to serialization/deserialization feature
2e722ce5df91
·Axel Kohlmeyer on May 24 2013, 15:14.

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@9632 f3b2605a-c512-4ea7…
a920f2320475
·sjplimp on Mar 11 2013, 21:47.

Jan 18 2013

Merge branch 'master' into lammps-icms
e1709a44891d
·Axel Kohlmeyer on Jan 18 2013, 13:50.

Jan 17 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9278 f3b2605a-c512-4ea7…
87f2415519d6
·sjplimp on Jan 17 2013, 16:52.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9277 f3b2605a-c512-4ea7…
f51ad982f602
·sjplimp on Jan 17 2013, 16:51.

Jan 9 2013

Merge branch 'master' into lammps-icms
427161ef56aa
·Axel Kohlmeyer on Jan 9 2013, 13:09.

Jan 3 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9204 f3b2605a-c512-4ea7…
772e83406ddd
·sjplimp on Jan 3 2013, 17:22.

Jan 2 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9184 f3b2605a-c512-4ea7…
a69bbed0b75c
·sjplimp on Jan 2 2013, 17:48.

Oct 27 2012

Merge branch 'master' into lammps-icms
399871b63a07
·Axel Kohlmeyer on Oct 27 2012, 21:30.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9027 f3b2605a-c512-4ea7…
fbc3f58a054a
·sjplimp on Oct 27 2012, 01:31.

May 24 2012

Merge branch 'master' into lammps-icms
95f350087c9f
·Axel Kohlmeyer on May 24 2012, 15:03.

May 23 2012

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8163 f3b2605a-c512-4ea7…
44904c5bf3e6
·sjplimp on May 23 2012, 18:20.
update colvars test examples
e0d696f14da4
·Axel Kohlmeyer on May 23 2012, 02:00.

Apr 23 2012

expand test
9976610faadd
·Axel Kohlmeyer on Apr 23 2012, 19:54.

Mar 17 2012

update examples. no need for "auto" in fix spring.
8a744d26dc5c
·Axel Kohlmeyer on Mar 17 2012, 18:08.
update simple colvars example and compare to spring
f727b47017f1
·Axel Kohlmeyer on Mar 17 2012, 03:23.

Mar 13 2012

delete test input
0e33af4f94ea
·Axel Kohlmeyer on Mar 13 2012, 04:19.
colvars now working correctly in parallel
6456a5cb2d2e
·Axel Kohlmeyer on Mar 13 2012, 03:52.

Mar 8 2012

first fully working version of the colvars module
82a43ae07818
·Axel Kohlmeyer on Mar 8 2012, 03:06.

Mar 6 2012

added colvars test example
3a98d5829ef7
·Axel Kohlmeyer on Mar 6 2012, 03:52.

Jan 7 2012

documentation updates
4f1bc1a2da1c
·Axel Kohlmeyer on Jan 7 2012, 18:01.

Jan 6 2012

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7432 f3b2605a-c512-4ea7…
0af770b923af
·sjplimp on Jan 6 2012, 18:34.

Jan 5 2012

update and remove crud.
479db2297898
·Axel Kohlmeyer on Jan 5 2012, 20:41.