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Diffusion lammps (lammm-master-deprecated) Graph

lammps/examples
lammm-master-deprecated

History Graph

CommitAuthorDetailsCommitted
bdffea2ea7c4sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12667 f3b2605a-c512-4ea7… 
Oct 30 2014
aa9c30ae9956Axel Kohlmeyer
update reference log file for colvars examples 
Oct 29 2014
fa9c01c701b0Axel Kohlmeyer
include histogram output in metadynamics example 
Oct 27 2014
c841d1dcb06eAxel Kohlmeyer
update colvars reference log files with current LAMMPS/colvars version 
Oct 26 2014
a8a95efae3e7Axel Kohlmeyer
simple input examples for testing more colvars use cases for syntax and files… 
Oct 25 2014
a05fa107d8ffAxel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Oct 9 2014
bd26134155d9sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12605 f3b2605a-c512-4ea7… 
Oct 7 2014
5be413fc73e8sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12602 f3b2605a-c512-4ea7… 
Oct 7 2014
6b7d9371947fsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12601 f3b2605a-c512-4ea7… 
Oct 7 2014
6bea73f245f5sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12600 f3b2605a-c512-4ea7… 
Oct 7 2014
6ba871c80ff7sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12599 f3b2605a-c512-4ea7… 
Oct 7 2014
c5ad12114d7csjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12598 f3b2605a-c512-4ea7… 
Oct 7 2014
69f2390b0685sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12596 f3b2605a-c512-4ea7… 
Oct 7 2014
9dd1fd29b218Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Sep 27 2014
bf8b5e4d630astamoor
Fixing broken basal example 
Sep 26 2014
62c95d86a8dcstamoor
Fixing broken USER-EFF example 
Sep 26 2014
190974a167baAxel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Sep 25 2014
fb705efa84ebathomps
Change fix box/relax example to be more efficient 
Sep 24 2014
5ae8de8f47aastamoor
Fixing broken USER-INTEL examples 
Sep 22 2014
3091e09e61c6Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Sep 20 2014
dbb4fd7e7582sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12520 f3b2605a-c512-4ea7… 
Sep 18 2014
e162a292b673Axel Kohlmeyer
Merge remote branch 'lammps-ro/master' into lammps-icms 
Sep 12 2014
5910f5103170sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12497 f3b2605a-c512-4ea7… 
Sep 11 2014
4a95b0047713sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12496 f3b2605a-c512-4ea7… 
Sep 11 2014
bbc60e3aefaasjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12494 f3b2605a-c512-4ea7… 
Sep 11 2014
35642380446dsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12493 f3b2605a-c512-4ea7… 
Sep 11 2014
978269a4cedcsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12492 f3b2605a-c512-4ea7… 
Sep 11 2014
010542ff0595sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12491 f3b2605a-c512-4ea7… 
Sep 11 2014
052a84f81d89Axel Kohlmeyer
Merge remote branch 'lammps-ro/master' into lammps-icms 
Sep 11 2014
b73b7a82533csjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12476 f3b2605a-c512-4ea7… 
Sep 10 2014
f977c2663f1bAxel Kohlmeyer
Merge remote branch 'lammps-ro/master' into lammps-icms 
Sep 9 2014
1b19868c9760sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12439 f3b2605a-c512-4ea7… 
Sep 8 2014
7551af229efeathomps
Add line describing snap 
Sep 8 2014
d12eca24b839Axel Kohlmeyer
Merge remote branch 'lammps-ro/master' into lammps-icms 
Sep 6 2014
3e4d6f2096d6sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12426 f3b2605a-c512-4ea7… 
Sep 6 2014
77dedf106316sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12419 f3b2605a-c512-4ea7… 
Sep 6 2014
8dce3d380cf8sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12408 f3b2605a-c512-4ea7… 
Sep 5 2014
b3f5ea4d8350sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12363 f3b2605a-c512-4ea7… 
Aug 27 2014
cf8ad2306612Axel Kohlmeyer
refactor ray's elastic too for portability 
Aug 26 2014
1172085ecd76Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Aug 17 2014
6e622a54af37sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12330 f3b2605a-c512-4ea7… 
Aug 15 2014
d6c42ed94bb0sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12312 f3b2605a-c512-4ea7… 
Aug 14 2014
dbc55a403f74Axel Kohlmeyer
overhaul of fix ipi to be more consistent with LAMMPS programming conventions 
Aug 12 2014
f78d0004f3beAxel Kohlmeyer
include example for i-PI use with fix ipi 
Aug 12 2014
4c79bce7f1cbAxel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Aug 10 2014
f75219da7021sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12292 f3b2605a-c512-4ea7… 
Aug 9 2014
4a197537c015Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Aug 7 2014
1177fd9af33bsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12266 f3b2605a-c512-4ea7… 
Aug 7 2014
d1148fd1ee5asjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12265 f3b2605a-c512-4ea7… 
Aug 7 2014
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
3d8a65e85b0cAxel Kohlmeyer
Merge branch 'lammps-icms' into cle-orig 
Jul 25 2014
512038de6fc6Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Jul 24 2014
e9a0ca6dca75pscrozi
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12193 f3b2605a-c512-4ea7… 
Jul 22 2014
934347e56584Axel Kohlmeyer
Merge branch 'lammps-icms' into cle-orig 
Jul 2 2014
29ae4bd8dc3dAxel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Jul 1 2014
ae2d215b8c58sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12149 f3b2605a-c512-4ea7… 
Jun 27 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
6123f2420033sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12096 f3b2605a-c512-4ea7… 
Jun 7 2014
a466230f4a9esjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12095 f3b2605a-c512-4ea7… 
Jun 6 2014
0078b0956b6fsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12090 f3b2605a-c512-4ea7… 
Jun 5 2014
8dad71810cf4sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12089 f3b2605a-c512-4ea7… 
Jun 5 2014
c4c6bae7dc53sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12066 f3b2605a-c512-4ea7… 
Jun 4 2014
895ca766eeecAxel Kohlmeyer
Merge remote branch 'lammps-ro/master' into lammps-kokkos 
Jun 2 2014
30361f0dfaeasjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12042 f3b2605a-c512-4ea7… 
May 30 2014
f9f7283fa5c5Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
May 14 2014
8a9ba2d05037sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11985 f3b2605a-c512-4ea7… 
May 13 2014
f9864c81e0ebsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11983 f3b2605a-c512-4ea7… 
May 13 2014
8d4a991b75acAxel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
May 13 2014
2c60c00b31basjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11972 f3b2605a-c512-4ea7… 
May 12 2014
6773e3be00bbsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11971 f3b2605a-c512-4ea7… 
May 12 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
4acacd8e3b18Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
May 8 2014
4ab16d538868athomps
Added viscosity estimate from diagonal shear stress 
May 7 2014
d906ce46d6fdAxel Kohlmeyer
Merge branch 'lammps-icms' of bitbucket.org:akohlmey/lammps-icms into lammps… 
May 3 2014
4fbf7105d6beAxel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
May 3 2014
ec54a1281593sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11902 f3b2605a-c512-4ea7… 
May 2 2014
fbe748457392sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11901 f3b2605a-c512-4ea7… 
May 2 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
1166a4c75a8fAxel Kohlmeyer
Merge branch 'lammps-icms' into merge-user-fep 
Apr 19 2014
517a48da9a86Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Apr 19 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
c62e2a91c441sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11828 f3b2605a-c512-4ea7… 
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
d45cca6714a1sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11776 f3b2605a-c512-4ea7… 
Apr 11 2014
1f5400e15304Axel Kohlmeyer
correct input scripts to work with the current LAMMPS code 
Apr 11 2014
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