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Diffusion lammps (master) Graph

lammps/tools
master

History Graph

CommitAuthorDetailsCommitted
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
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Jun 14 2016
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15068 f3b2605a-c512-4ea7… 
May 31 2016
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Jan 15 2016
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Dec 15 2015
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Dec 15 2015
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Nov 19 2015
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Oct 30 2015
01e0beda67a0sjplimp
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Oct 30 2015
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Sep 24 2015
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Aug 19 2015
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Aug 19 2015
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Aug 14 2015
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Aug 4 2015
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Aug 4 2015
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13825 f3b2605a-c512-4ea7… 
Aug 4 2015
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Jul 27 2015
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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
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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
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12769 f3b2605a-c512-4ea7… 
Nov 24 2014
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12750 f3b2605a-c512-4ea7… 
Nov 20 2014
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12504 f3b2605a-c512-4ea7… 
Sep 12 2014
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12303 f3b2605a-c512-4ea7… 
Aug 13 2014
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12168 f3b2605a-c512-4ea7… 
Jul 2 2014
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12053 f3b2605a-c512-4ea7… 
May 30 2014
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11995 f3b2605a-c512-4ea7… 
May 15 2014
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May 9 2014
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May 6 2014
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May 6 2014
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11898 f3b2605a-c512-4ea7… 
May 2 2014
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May 2 2014
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Apr 4 2014
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Apr 4 2014
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11643 f3b2605a-c512-4ea7… 
Mar 19 2014
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11605 f3b2605a-c512-4ea7… 
Mar 10 2014
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11478 f3b2605a-c512-4ea7… 
Feb 5 2014
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11447 f3b2605a-c512-4ea7… 
Feb 1 2014
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Feb 1 2014
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11433 f3b2605a-c512-4ea7… 
Feb 1 2014
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11046 f3b2605a-c512-4ea7… 
Nov 22 2013
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11022 f3b2605a-c512-4ea7… 
Nov 18 2013
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10941 f3b2605a-c512-4ea7… 
Nov 4 2013
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Nov 4 2013
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10935 f3b2605a-c512-4ea7… 
Nov 4 2013
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10905 f3b2605a-c512-4ea7… 
Oct 30 2013
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10904 f3b2605a-c512-4ea7… 
Oct 30 2013
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10903 f3b2605a-c512-4ea7… 
Oct 30 2013
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10902 f3b2605a-c512-4ea7… 
Oct 30 2013
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10833 f3b2605a-c512-4ea7… 
Sep 24 2013
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10832 f3b2605a-c512-4ea7… 
Sep 24 2013
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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
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Aug 23 2013
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10662 f3b2605a-c512-4ea7… 
Aug 23 2013
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10534 f3b2605a-c512-4ea7… 
Aug 5 2013
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Aug 2 2013
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10523 f3b2605a-c512-4ea7… 
Aug 2 2013
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10522 f3b2605a-c512-4ea7… 
Aug 2 2013
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10521 f3b2605a-c512-4ea7… 
Aug 2 2013
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10391 f3b2605a-c512-4ea7… 
Jul 26 2013
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Jul 26 2013
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Jul 25 2013
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Jul 25 2013
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Jul 24 2013
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Jul 23 2013
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Jul 23 2013
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Jul 23 2013
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Jul 23 2013
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Jul 23 2013
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Jul 23 2013
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Jul 1 2013
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Jul 1 2013
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Jun 28 2013
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Jun 28 2013
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Jun 28 2013
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Jun 28 2013
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