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1df59c4b95
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change lammps2pdb.pl to only ignore the first line of a data file. whitespace fixes
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2020-07-05 23:36:00 -04:00 |
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649a8cc01a
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Fix typo
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2020-03-14 13:57:48 +09:00 |
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27d3d44297
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step version number, year, and changelog to reflect fixed bug.
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2019-10-17 09:30:08 -04:00 |
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6f7b052e24
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update comments and remove commented code
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2018-11-19 16:38:25 -05:00 |
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9b401b6ed0
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fix topology parsing
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2018-11-20 06:22:32 +09:00 |
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9fd1e47968
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ignore generated/copied files
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2018-01-28 06:24:03 -05:00 |
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6753977837
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recreate 1ac7 input deck with up to date tools and LAMMPS binary.
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2018-01-28 06:23:09 -05:00 |
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031812b2bf
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recreate 1gb1 input deck with CMAP included.
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2018-01-28 06:22:03 -05:00 |
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ba68548e38
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clarify ch2lmp commands purpose in tools section
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2018-01-28 06:19:33 -05:00 |
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34cb4027df
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make formatting comment consistent
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2017-01-11 07:46:07 -05:00 |
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d7d321a512
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some more updates to the README file to reflect the inclusion of the CMAP example and renamed file names
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2016-10-05 18:41:45 -04:00 |
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326fdf2cf1
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added 1GB1 example from Robert Latour and update 1AC7 example files
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2016-10-05 18:20:09 -04:00 |
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f32819dd10
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added tweak to write out the command line used for the conversion to the beginning of the LAMMPS input
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2016-10-05 18:13:46 -04:00 |
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c07a01c661
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import updated README file for charmm2lammps.pl with CMAP support
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2016-10-05 18:11:52 -04:00 |
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6e719f2d94
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remove trailing whitespace
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2016-10-03 07:07:28 -04:00 |
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45d2cc2895
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permission update for ch2lmp tool folder
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2016-10-03 07:03:42 -04:00 |
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690f91300b
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rebuild charmm2lammps example output files with updated tools
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2016-10-03 06:58:51 -04:00 |
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3b94627dfe
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properly handle -nohints flag, make -cmap flag take version as option. step version number
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2016-10-03 06:52:30 -04:00 |
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c2e11dffa2
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import updated charmm2lammps.pl script from Rober Latour
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2016-10-02 20:33:20 -04:00 |
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8a6e5ed3ce
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15637 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-09-23 22:59:43 +00:00 |
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863a3d3319
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15163 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-06-14 13:59:39 +00:00 |
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bfa988207e
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14448 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-01-15 15:39:44 +00:00 |
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b67b7cb706
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3144 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2009-09-04 15:02:22 +00:00 |
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6700000007
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1559 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2008-03-01 00:06:37 +00:00 |
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9e0c6fab7a
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@965 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2007-10-05 17:27:10 +00:00 |
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b8fdf06262
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Bug fix from Pieter in 't Veld for charmm2lammps.pl script. Changed AddMass() to use correctly.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@211 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2007-01-09 15:05:41 +00:00 |
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60c7f745b9
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@27 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2006-09-27 19:51:49 +00:00 |
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