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Diffusion lammps (lammps-icms) Graph

lammps/examples/USER
lammps-icms

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CommitAuthorDetailsCommitted
57b8a339eb7eAxel Kohlmeyer
clean up reading of C matrix and fix missing scaling bug 
Aug 5 2014
8821eb0518c9Axel Kohlmeyer
cleaned up code some. doesn't seem to fully work yet. 
Aug 5 2014
c46236d70686Axel Kohlmeyer
update input examples to be more similar to other LAMMPS examples 
Aug 5 2014
ff3961492620Axel Kohlmeyer
import updated GLE fix from michele ceriotti 
Aug 5 2014
86d4432ff882Axel Kohlmeyer
import colored langevin thermostat package from michele ceriotti 
Jun 24 2014
063fae8961fbAxel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Jun 11 2014
7e1c6ccfac6fstamoor
Fixing more broken USER-EFF examples 
Jun 10 2014
fcb81d2b48e5stamoor
Fixing broken USER-EFF examples 
Jun 10 2014
00db690e6437stamoor
Updating USER-EFF examples to use compute property/atom 
Jun 10 2014
28b9fa375408sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12107 f3b2605a-c512-4ea7… 
Jun 10 2014
1ee7cb100d97Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Jun 8 2014
8dad71810cf4sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12089 f3b2605a-c512-4ea7… 
Jun 5 2014
f9f7283fa5c5Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
May 14 2014
f9864c81e0ebsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11983 f3b2605a-c512-4ea7… 
May 13 2014
24fb679e5579Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
May 10 2014
944b898d7128sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11956 f3b2605a-c512-4ea7… 
May 9 2014
86843200fdcaAxel Kohlmeyer
remove redundant files 
May 2 2014
99f9652c492aAxel Kohlmeyer
update examples for USER-FEP 
Apr 24 2014
e04545e26d80Axel Kohlmeyer
reworked USER-FEP code to emit less warnings and be USER-OMP compatible 
Apr 21 2014
89044ec1f89eAxel Kohlmeyer
add files missing from previous import of the project 
Apr 18 2014
69c06791a580Axel Kohlmeyer
import USER-FEP package from https://github.com/agiliopadua/compute_fep 
Apr 18 2014
0a1f876f4e42Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Apr 16 2014
1f0a6ae006adstamoor
Fixed broken basal example 
Apr 14 2014
532a4e66fb6bstamoor
Fixed broken examples by adding NULL after stess/atom commands 
Apr 14 2014
f8daecd639f4Axel Kohlmeyer
Merge remote branch 'lammps-ro/master' into lammps-icms 
Apr 9 2014
0b8bc83b4b9fsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11737 f3b2605a-c512-4ea7… 
Apr 8 2014
a683e4f52d6fsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11736 f3b2605a-c512-4ea7… 
Apr 8 2014
fb3a956155f4Axel Kohlmeyer
Merge remote branch 'lammps-ro/master' into lammps-icms 
Apr 8 2014
23a0a72df1cdsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11730 f3b2605a-c512-4ea7… 
Apr 7 2014
fe1d916552d2sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11729 f3b2605a-c512-4ea7… 
Apr 7 2014
4f41258f5d81sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11728 f3b2605a-c512-4ea7… 
Apr 7 2014
ea0dc9196302sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11727 f3b2605a-c512-4ea7… 
Apr 7 2014
944ffff4a9c8sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11726 f3b2605a-c512-4ea7… 
Apr 7 2014
dd00335813d7Axel Kohlmeyer
update the colvars example 
Apr 5 2014
ca7db502def3Axel Kohlmeyer
add lj/sdk example with charges 
Apr 5 2014
4dae1d2d3b5dAxel Kohlmeyer
update the PEG-C12E8 CG-CMM example for current LAMMPS version 
Apr 5 2014
f80390891928Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Mar 25 2014
2fb6f59c9f68rjones
in development : not for release 
Mar 24 2014
2e8da581f283Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Nov 9 2013
bb589062a32bsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10990 f3b2605a-c512-4ea7… 
Nov 7 2013
5c9784336738sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10989 f3b2605a-c512-4ea7… 
Nov 7 2013
dc1278ee51e6Axel Kohlmeyer
Merge remote branch 'lammps-ro/master' into lammps-icms 
Nov 5 2013
90a2bccf8379sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10956 f3b2605a-c512-4ea7… 
Nov 4 2013
ada81ca2e055sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10846 f3b2605a-c512-4ea7… 
Oct 2 2013
78474bfe023cAxel Kohlmeyer
update the input for current LAMMPS 
Sep 29 2013
00d9f400ba98Axel Kohlmeyer
Merge remote branch 'lammps-ro/master' into lammps-icms 
Sep 13 2013
3d6369b7f526jzimmer
Removing "stdout" files 
Sep 12 2013
b46ddebe3eefAxel Kohlmeyer
Merge remote branch 'lammps-ro/master' into lammps-icms 
Sep 5 2013
5302074b3f8erjones
ATC version 2.0, date: Sep1 
Sep 1 2013
2c30d74d8d0dAxel Kohlmeyer
Merge remote branch 'lammps-ro/master' into lammps-icms 
Aug 29 2013
07e3b8c7d7d8rjones
ATC version 2.0, date: Aug28 
Aug 29 2013
1ca6fb0f8160Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Aug 23 2013
31b31f0a6ae6rjones
ATC version 2.0, date: Aug22 
Aug 23 2013
eacdc7e58c63rjones
not for release 
Aug 23 2013
a04f267b5449jzimmer
ATC version 2.0, date: Aug22 
Aug 23 2013
6297a32d9b46Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Aug 22 2013
2b9951bf5640jzimmer
Including info on cauchy_born examples. 
Aug 22 2013
b22a8a7b61a5rjones
ATC version 2.0, date: Aug21 
Aug 22 2013
7d0fe14fdb33jatempl
Updated to current set of examples. 
Aug 22 2013
2d63313b2479rjones
obsolete 
Aug 22 2013
546d3c4e6196rjones
remove log file 
Aug 14 2013
8bbf508fb010Axel Kohlmeyer
remove unwanted file 
Aug 13 2013
c931a450c093Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into atc-merge 
Aug 8 2013
2629a8389daerjones
ATC version 2.0, date: Aug7 
Aug 7 2013
666de878addcrjones
ATC version 2.0, date: Aug7 
Aug 7 2013
77f06b1dfec1Axel Kohlmeyer
Merge remote branch 'lammps-ro/master' into lammps-icms 
Jul 31 2013
13b38d09e55erjones
test if I can commit 
Jul 30 2013
9550535392c7Axel Kohlmeyer
Merge remote branch 'lammps-ro/master' into lammps-icms 
Jul 27 2013
b12b9fced98esjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10409 f3b2605a-c512-4ea7… 
Jul 26 2013
2e722ce5df91Axel Kohlmeyer
improvements to serialization/deserialization feature 
May 24 2013
8a912603a5f0Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Mar 12 2013
a920f2320475sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9632 f3b2605a-c512-4ea7… 
Mar 11 2013
e1709a44891dAxel Kohlmeyer
Merge branch 'master' into lammps-icms 
Jan 18 2013
87f2415519d6sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9278 f3b2605a-c512-4ea7… 
Jan 17 2013
f51ad982f602sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9277 f3b2605a-c512-4ea7… 
Jan 17 2013
427161ef56aaAxel Kohlmeyer
Merge branch 'master' into lammps-icms 
Jan 9 2013
772e83406dddsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9204 f3b2605a-c512-4ea7… 
Jan 3 2013
a69bbed0b75csjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9184 f3b2605a-c512-4ea7… 
Jan 2 2013
399871b63a07Axel Kohlmeyer
Merge branch 'master' into lammps-icms 
Oct 27 2012
fbc3f58a054asjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9027 f3b2605a-c512-4ea7… 
Oct 27 2012
95f350087c9fAxel Kohlmeyer
Merge branch 'master' into lammps-icms 
May 24 2012
44904c5bf3e6sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8163 f3b2605a-c512-4ea7… 
May 23 2012
e0d696f14da4Axel Kohlmeyer
update colvars test examples 
May 23 2012
9976610faaddAxel Kohlmeyer
expand test 
Apr 23 2012
8a744d26dc5cAxel Kohlmeyer
update examples. no need for "auto" in fix spring. 
Mar 17 2012
f727b47017f1Axel Kohlmeyer
update simple colvars example and compare to spring 
Mar 17 2012
0e33af4f94eaAxel Kohlmeyer
delete test input 
Mar 13 2012
6456a5cb2d2eAxel Kohlmeyer
colvars now working correctly in parallel 
Mar 13 2012
82a43ae07818Axel Kohlmeyer
first fully working version of the colvars module 
Mar 8 2012
3a98d5829ef7Axel Kohlmeyer
added colvars test example 
Mar 6 2012
4f1bc1a2da1cAxel Kohlmeyer
documentation updates 
Jan 7 2012
0af770b923afsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7432 f3b2605a-c512-4ea7… 
Jan 6 2012
479db2297898Axel Kohlmeyer
update and remove crud. 
Jan 5 2012
9259ae869929Axel Kohlmeyer
Merge branch 'master' into lammps-icms 
Jan 1 2012
70a85bddfd2dsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7256 f3b2605a-c512-4ea7… 
Dec 1 2011
91f494025059sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6836 f3b2605a-c512-4ea7… 
Aug 27 2011
a2ea5509ff14sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6616 f3b2605a-c512-4ea7… 
Aug 8 2011
c7e91e5418fbsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6379 f3b2605a-c512-4ea7… 
Jun 14 2011
63953173fd99sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6272 f3b2605a-c512-4ea7… 
Jun 1 2011
eac710420df6Axel Kohlmeyer
Merge branch 'master' into lammps-icms 
Feb 23 2011
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