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49 Commits

Author SHA1 Message Date
Eisuke Kawashima 649a8cc01a
Fix typo 2020-03-14 13:57:48 +09:00
Axel Kohlmeyer 13cf357f66
document in README, that msi2lmp is now build alongside LAMMPS 2019-04-07 00:47:10 -04:00
Axel Kohlmeyer ab8215a669 remove dead code 2018-11-09 01:09:31 -05:00
Axel Kohlmeyer fe04147ee0 fix typo 2018-11-09 01:09:22 -05:00
Axel Kohlmeyer 7ed6cab040 do not generate illegal dihedrals, e.g. from 3-membered rings 2018-11-05 20:35:43 -05:00
Axel Kohlmeyer 54dc73c771 correctly compute adjusted box lengths for triclinic boxes. code taken from topotools 2018-02-19 14:06:26 +01:00
Axel Kohlmeyer 7bd089aa6d fix typo 2018-02-19 14:05:50 +01:00
Axel Kohlmeyer 60e14f1490 add comment to msi2lmp README about symmetry limitations 2017-08-14 08:54:26 -04:00
Axel Kohlmeyer dec36e9bfe fix typos and remove trailing whitespace 2017-04-17 17:40:57 -04:00
Axel Kohlmeyer dd90c860ee refactor msi2lmp documentation to emphasize lack of active development 
- put a note into the manual
- reorder contents of the README file
- request for information should be sent to lammps-users
- add list of known missing features
 2017-04-17 17:40:21 -04:00
Richard Berger 08baaa9d8e Fix more typos in tools 2017-03-07 01:00:25 -05:00
Richard Berger dd76ac5010 Fix typos in tools folder 2017-03-05 21:18:01 -05:00
Axel Kohlmeyer 7ddb6670c0 fix typo 2016-11-30 00:12:35 -05:00
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
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 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 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 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 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 5f9001a59d git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10935 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-11-04 16:59:03 +00:00
sjplimp a886c8450a git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10905 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-10-30 15:39:57 +00:00
sjplimp 0f1efa0c79 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10904 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-10-30 15:39:37 +00:00
sjplimp 3285598d8d git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10903 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-10-30 15:38:44 +00:00
sjplimp 5ec1f8057e git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10902 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-10-30 15:38:25 +00:00
sjplimp 2ea115cfc2 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10663 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-08-23 14:31:33 +00:00
sjplimp f143f1a546 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10662 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-08-23 14:31:17 +00:00
sjplimp ebe6ead348 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10534 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-08-05 14:11:56 +00:00
sjplimp 7b1a0c4b1f git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10524 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-08-02 15:06:22 +00:00
sjplimp 0ce4185a7c git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10523 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-08-02 15:06:16 +00:00
sjplimp 69d7e0a823 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10522 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-08-02 15:05:49 +00:00
sjplimp e3300dd7b3 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10521 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-08-02 15:05:31 +00:00
sjplimp 4746837b5e git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10317 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-07-24 13:58:40 +00:00
sjplimp 1d95bd961d git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10287 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-07-23 15:14:02 +00:00
sjplimp 8f9c6b5a02 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10286 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-07-23 15:13:44 +00:00
sjplimp bec0c049d8 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10276 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-07-22 22:49:34 +00:00
sjplimp 268c782771 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10275 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-07-22 22:49:21 +00:00
sjplimp 9034be4e5e git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10274 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-07-22 22:49:16 +00:00
sjplimp 7206633474 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10210 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-07-01 13:54:30 +00:00
sjplimp da71a6b973 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10209 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-07-01 13:54:09 +00:00
sjplimp 311d2b0a0c git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8514 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-07-30 13:59:32 +00:00
sjplimp cd6cff6186 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6999 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-09-23 13:57:54 +00:00
sjplimp 1ab03c7ee0 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6998 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-09-23 13:57:46 +00:00
sjplimp 458150a9fe git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6249 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-05-30 14:35:45 +00:00
sjplimp 6700000007 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1559 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2008-03-01 00:06:37 +00:00
sjplimp 36268e9814 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@905 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2007-09-27 20:51:20 +00:00
sjplimp 60c7f745b9 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@27 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2006-09-27 19:51:49 +00:00