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290 Commits

Author SHA1 Message Date
sjplimp 54fc194e5b Merge pull request #199 from akohlmey/small-changes 
Collected small changes and bugfixes
 2016-10-06 15:49:24 -06:00
Axel Kohlmeyer 0853cdbe6f update reference data files for updated/corrected clayff parameters 2016-10-06 11:47:08 -04:00
Axel Kohlmeyer 22ce671804 improved whitespace handling in msi2lmp for force fields and topologies 2016-10-06 11:16:59 -04:00
Axel Kohlmeyer d7d321a512 some more updates to the README file to reflect the inclusion of the CMAP example and renamed file names 2016-10-05 18:41:45 -04:00
Axel Kohlmeyer 326fdf2cf1 added 1GB1 example from Robert Latour and update 1AC7 example files 2016-10-05 18:20:09 -04:00
Axel Kohlmeyer f32819dd10 added tweak to write out the command line used for the conversion to the beginning of the LAMMPS input 2016-10-05 18:13:46 -04:00
Axel Kohlmeyer c07a01c661 import updated README file for charmm2lammps.pl with CMAP support 2016-10-05 18:11:52 -04:00
Axel Kohlmeyer 6e719f2d94 remove trailing whitespace 2016-10-03 07:07:28 -04:00
Axel Kohlmeyer 45d2cc2895 permission update for ch2lmp tool folder 2016-10-03 07:03:42 -04:00
Axel Kohlmeyer 690f91300b rebuild charmm2lammps example output files with updated tools 2016-10-03 06:58:51 -04:00
Axel Kohlmeyer 3b94627dfe properly handle -nohints flag, make -cmap flag take version as option. step version number 2016-10-03 06:52:30 -04:00
Axel Kohlmeyer c2e11dffa2 import updated charmm2lammps.pl script from Rober Latour 2016-10-02 20:33:20 -04:00
sjplimp 8a6e5ed3ce git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15637 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-09-23 22:59:43 +00:00
sjplimp 863a3d3319 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15163 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-06-14 13:59:39 +00:00
sjplimp d7c5025530 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15068 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-05-31 13:58:37 +00:00
sjplimp bfa988207e git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14448 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-01-15 15:39:44 +00:00
sjplimp 074d5962c8 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14367 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-12-15 15:59:11 +00:00
sjplimp 5f802f86b5 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14366 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-12-15 15:59:01 +00:00
sjplimp b857237fef git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14269 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-11-19 15:34:38 +00:00
sjplimp 0aa77408f8 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14219 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-10-30 19:46:30 +00:00
sjplimp 01e0beda67 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14218 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-10-30 19:44:45 +00:00
sjplimp 2ed7d366a6 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14057 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-09-24 20:16:09 +00:00
sjplimp 16eed7a053 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13902 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-08-19 14:39:33 +00:00
sjplimp 7be9bc38a2 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13900 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-08-19 14:33:40 +00:00
sjplimp 24bf97204b git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13881 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-08-14 14:56:57 +00:00
sjplimp d7e358c359 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13833 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-08-04 20:56:54 +00:00
sjplimp b0dec93ffb git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13826 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-08-04 18:54:11 +00:00
sjplimp 57ed470003 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13825 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-08-04 18:48:13 +00:00
sjplimp d58afbcc48 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13730 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-07-27 14:58:04 +00:00
sjplimp dce226f164 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13410 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-04-14 14:18:40 +00:00
sjplimp d510bb54ef git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12924 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-01-09 17:04:59 +00:00
sjplimp b92650b918 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12922 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-01-09 16:58:58 +00:00
sjplimp b2e008ee04 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12771 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-11-24 17:12:48 +00:00
sjplimp 997f7a8845 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12769 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-11-24 17:02:36 +00:00
sjplimp 3a10de35be git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12750 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-11-20 16:08:15 +00:00
sjplimp 89c7a5df32 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12504 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-09-12 14:13:43 +00:00
sjplimp 7e3fd44a0b git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12303 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-08-13 14:04:13 +00:00
sjplimp 0553f4af2b git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12168 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-07-02 14:30:06 +00:00
sjplimp 4e3bc9d059 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12053 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-05-30 13:48:37 +00:00
sjplimp 474a7279e2 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11995 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-05-15 13:23:10 +00:00
sjplimp db78f042ef git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11955 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-05-09 15:34:57 +00:00
sjplimp 4a1807d397 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11915 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-05-06 15:15:48 +00:00
sjplimp acae56ce82 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11914 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-05-06 15:15:35 +00:00
sjplimp 6883b645fa git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11898 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-05-02 19:17:28 +00:00
sjplimp 9a0d1c765b git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11897 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-05-02 19:17:02 +00:00
sjplimp c068542357 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11697 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-04-04 16:23:21 +00:00
sjplimp 569259e7dc git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11696 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-04-04 16:22:53 +00:00
sjplimp 544bf593c5 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11643 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-03-19 18:26:56 +00:00
sjplimp 3f7d79ab82 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11605 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-03-10 14:24:09 +00:00
sjplimp 476b6d0e04 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11478 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-02-05 17:45:47 +00:00