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Diffusion lammps (master) Graph

lammps/tools
master

History Graph

CommitAuthorDetailsCommitted
4c71beb02409Axel Kohlmeyer
cleanup/simplification of compilation for fix phonon analysis tool "phana" 
Sep 30 2017
a5b65c1af48cJulien Devemy
Mods for extra/special/per/atom and add toluene 
Aug 31 2017
de0fdbed6c92Axel Kohlmeyer
moltemplate bugfix update 
Aug 24 2017
12150ffa7397Axel Kohlmeyer
add moltemplate version 2017-8-22 
Aug 23 2017
57aafba7c3bdAxel Kohlmeyer
remove old moltemplate version 
Aug 23 2017
60e14f14906cAxel Kohlmeyer
add comment to msi2lmp README about symmetry limitations 
Aug 14 2017
f717a70638f9Christoph Junghans
tools/Makefile: remove remains of data2xmovie 
Jul 12 2017
dec36e9bfe88Axel Kohlmeyer
fix typos and remove trailing whitespace 
Apr 17 2017
dd90c860ee62Axel Kohlmeyer
refactor msi2lmp documentation to emphasize lack of active development 
Apr 17 2017
dcede304dff9Steve Plimpton
changes for next patch, 2d disc options for spheres, fix external upgrade, bug… 
Mar 21 2017
82d952ae0eafAxel Kohlmeyer
mention NumPy dependency instead of Numeric for python tools 
Mar 20 2017
47d6451d033aAxel Kohlmeyer
fix compilation for pymol_asphere tool 
Mar 20 2017
e110d6961a48Axel Kohlmeyer
remove obsolete tools and files 
Mar 20 2017
a42b0b7dcb59Axel Kohlmeyer
update colvars abf integrate tool from git repo 
Mar 20 2017
03828b5836f5Axel Kohlmeyer
adapt binary2txt.cpp source to current coding conventions 
Mar 20 2017
ecf17621aa80Axel Kohlmeyer
more permission fixes 
Mar 20 2017
f0c6ed004dd0Axel Kohlmeyer
remove xmovie 
Mar 20 2017
08baaa9d8edeRichard Berger
Fix more typos in tools 
Mar 7 2017
dd76ac5010aeRichard Berger
Fix typos in tools folder 
Mar 6 2017
e261bef7bba7Richard Berger
Spelling fixes in source files 
Mar 6 2017
27aca14094e9Agilio Padua
Updated polarizer.py to use coul/long/cs 
Feb 4 2017
34cb4027df01Axel Kohlmeyer
make formatting comment consistent 
Jan 11 2017
7ddb6670c02aAxel Kohlmeyer
fix typo 
Nov 30 2016
9e9d9d5aa541Axel Kohlmeyer
update bundled version of moltemplate to v1.40 
Nov 21 2016
93d393aa691aAxel Kohlmeyer
permission cleanup in tools folder 
Oct 28 2016
54fc194e5b33sjplimp/GitHub
Merge pull request #199 from akohlmey/small-changes 
Oct 6 2016
0853cdbe6f69Axel Kohlmeyer
update reference data files for updated/corrected clayff parameters 
Oct 6 2016
22ce6718048bAxel Kohlmeyer
improved whitespace handling in msi2lmp for force fields and topologies 
Oct 6 2016
d7d321a51249Axel Kohlmeyer
some more updates to the README file to reflect the inclusion of the CMAP… 
Oct 6 2016
326fdf2cf13aAxel Kohlmeyer
added 1GB1 example from Robert Latour and update 1AC7 example files 
Oct 6 2016
f32819dd1086Axel Kohlmeyer
added tweak to write out the command line used for the conversion to the… 
Oct 6 2016
c07a01c661d6Axel Kohlmeyer
import updated README file for charmm2lammps.pl with CMAP support 
Oct 6 2016
6e719f2d9469Axel Kohlmeyer
remove trailing whitespace 
Oct 3 2016
45d2cc28951dAxel Kohlmeyer
permission update for ch2lmp tool folder 
Oct 3 2016
690f91300b63Axel Kohlmeyer
rebuild charmm2lammps example output files with updated tools 
Oct 3 2016
3b94627dfea5Axel Kohlmeyer
properly handle -nohints flag, make -cmap flag take version as option. step… 
Oct 3 2016
c2e11dffa2ebAxel Kohlmeyer
import updated charmm2lammps.pl script from Rober Latour 
Oct 3 2016
8a6e5ed3ced4sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15637 f3b2605a-c512-4ea7… 
Sep 24 2016
863a3d331930sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15163 f3b2605a-c512-4ea7… 
Jun 14 2016
d7c50255302fsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15068 f3b2605a-c512-4ea7… 
May 31 2016
bfa988207ef5sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14448 f3b2605a-c512-4ea7… 
Jan 15 2016
074d5962c8c6sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14367 f3b2605a-c512-4ea7… 
Dec 15 2015
5f802f86b54fsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14366 f3b2605a-c512-4ea7… 
Dec 15 2015
b857237fef0fsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14269 f3b2605a-c512-4ea7… 
Nov 19 2015
0aa77408f808sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14219 f3b2605a-c512-4ea7… 
Oct 30 2015
01e0beda67a0sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14218 f3b2605a-c512-4ea7… 
Oct 30 2015
2ed7d366a693sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14057 f3b2605a-c512-4ea7… 
Sep 24 2015
16eed7a05366sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13902 f3b2605a-c512-4ea7… 
Aug 19 2015
7be9bc38a26csjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13900 f3b2605a-c512-4ea7… 
Aug 19 2015
24bf97204bbfsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13881 f3b2605a-c512-4ea7… 
Aug 14 2015
d7e358c35978sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13833 f3b2605a-c512-4ea7… 
Aug 4 2015
b0dec93ffb44sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13826 f3b2605a-c512-4ea7… 
Aug 4 2015
57ed47000346sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13825 f3b2605a-c512-4ea7… 
Aug 4 2015
d58afbcc48fasjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13730 f3b2605a-c512-4ea7… 
Jul 27 2015
dce226f16403sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13410 f3b2605a-c512-4ea7… 
Apr 14 2015
d510bb54ef32sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12924 f3b2605a-c512-4ea7… 
Jan 9 2015
b92650b91805sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12922 f3b2605a-c512-4ea7… 
Jan 9 2015
b2e008ee04e4sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12771 f3b2605a-c512-4ea7… 
Nov 24 2014
997f7a8845a2sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12769 f3b2605a-c512-4ea7… 
Nov 24 2014
3a10de35be68sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12750 f3b2605a-c512-4ea7… 
Nov 20 2014
89c7a5df328bsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12504 f3b2605a-c512-4ea7… 
Sep 12 2014
7e3fd44a0b9bsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12303 f3b2605a-c512-4ea7… 
Aug 13 2014
0553f4af2b94sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12168 f3b2605a-c512-4ea7… 
Jul 2 2014
4e3bc9d059a9sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12053 f3b2605a-c512-4ea7… 
May 30 2014
474a7279e252sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11995 f3b2605a-c512-4ea7… 
May 15 2014
db78f042efe3sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11955 f3b2605a-c512-4ea7… 
May 9 2014
4a1807d39739sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11915 f3b2605a-c512-4ea7… 
May 6 2014
acae56ce8245sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11914 f3b2605a-c512-4ea7… 
May 6 2014
6883b645faa3sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11898 f3b2605a-c512-4ea7… 
May 2 2014
9a0d1c765b87sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11897 f3b2605a-c512-4ea7… 
May 2 2014
c06854235718sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11697 f3b2605a-c512-4ea7… 
Apr 4 2014
569259e7dc2bsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11696 f3b2605a-c512-4ea7… 
Apr 4 2014
544bf593c501sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11643 f3b2605a-c512-4ea7… 
Mar 19 2014
3f7d79ab82absjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11605 f3b2605a-c512-4ea7… 
Mar 10 2014
476b6d0e04f2sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11478 f3b2605a-c512-4ea7… 
Feb 5 2014
a16612ffbee5sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11447 f3b2605a-c512-4ea7… 
Feb 1 2014
ceb4da003907sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11434 f3b2605a-c512-4ea7… 
Feb 1 2014
57b7ebbef002sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11433 f3b2605a-c512-4ea7… 
Feb 1 2014
930149e5e656sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11046 f3b2605a-c512-4ea7… 
Nov 22 2013
97fa4aa742c6sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11022 f3b2605a-c512-4ea7… 
Nov 18 2013
6eac9cb9bc4fsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10941 f3b2605a-c512-4ea7… 
Nov 4 2013
bbeddc892238sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10940 f3b2605a-c512-4ea7… 
Nov 4 2013
5f9001a59de0sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10935 f3b2605a-c512-4ea7… 
Nov 4 2013
a886c8450a0fsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10905 f3b2605a-c512-4ea7… 
Oct 30 2013
0f1efa0c79d6sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10904 f3b2605a-c512-4ea7… 
Oct 30 2013
3285598d8dabsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10903 f3b2605a-c512-4ea7… 
Oct 30 2013
5ec1f8057e6dsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10902 f3b2605a-c512-4ea7… 
Oct 30 2013
8334d6123dcesjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10833 f3b2605a-c512-4ea7… 
Sep 24 2013
0724cdd4b6adsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10832 f3b2605a-c512-4ea7… 
Sep 24 2013
41356b5eed3bsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10826 f3b2605a-c512-4ea7… 
Sep 23 2013
5302ad50d7deathomps
Added xmgrace folder 
Sep 20 2013
09c9148250afathomps
Added xmgrace folder 
Sep 20 2013
14df2cfca11fsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10755 f3b2605a-c512-4ea7… 
Sep 11 2013
2ea115cfc2ecsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10663 f3b2605a-c512-4ea7… 
Aug 23 2013
f143f1a5465dsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10662 f3b2605a-c512-4ea7… 
Aug 23 2013
ebe6ead34839sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10534 f3b2605a-c512-4ea7… 
Aug 5 2013
7b1a0c4b1f70sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10524 f3b2605a-c512-4ea7… 
Aug 2 2013
0ce4185a7cbdsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10523 f3b2605a-c512-4ea7… 
Aug 2 2013
69d7e0a82341sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10522 f3b2605a-c512-4ea7… 
Aug 2 2013
e3300dd7b36asjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10521 f3b2605a-c512-4ea7… 
Aug 2 2013
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