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352 Commits

Author SHA1 Message Date
sjplimp 191b83cd92 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10174 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-06-28 20:32:49 +00:00
sjplimp 916c06cdbc git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10173 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-06-28 20:32:42 +00:00
sjplimp 81005917e4 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10172 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-06-28 20:32:24 +00:00
sjplimp d9fc13e4b3 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10171 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-06-28 20:31:57 +00:00
sjplimp 49a8be89f7 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10170 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-06-28 20:31:30 +00:00
sjplimp 92e78a2f8e git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10112 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-06-27 21:36:57 +00:00
sjplimp 56edfb4bdc git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10062 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-06-10 14:59:55 +00:00
sjplimp def6733a9a git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9823 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-05-07 23:41:55 +00:00
sjplimp b7da4d691c git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9808 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-05-07 21:14:00 +00:00
sjplimp 03c092e07f git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9702 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-03-21 17:36:19 +00:00
sjplimp a200f0ae38 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9661 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-03-13 15:43:17 +00:00
sjplimp 3a65e81417 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9651 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-03-12 15:38:21 +00:00
sjplimp ae3e0a6678 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9650 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-03-12 15:38:15 +00:00
sjplimp 3ba07ca1e6 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9641 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-03-11 21:37:15 +00:00
sjplimp 7bd090262d git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9634 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-03-11 20:50:45 +00:00
sjplimp bacce98d04 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9633 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-03-11 20:48:21 +00:00
sjplimp fa5eb19f26 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9500 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-02-14 23:13:33 +00:00
sjplimp 43e422a683 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9294 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-01-18 16:04:11 +00:00
sjplimp 5b9c57e438 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9183 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-01-02 16:45:47 +00:00
sjplimp b73919c94e git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9180 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-01-02 16:40:03 +00:00
sjplimp 3aea32f946 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9179 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-01-02 16:39:52 +00:00
sjplimp 212d8954dd git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9146 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-12-06 23:48:51 +00:00
sjplimp d028daec92 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8988 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-10-22 14:32:18 +00:00
sjplimp be1593f66e git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8987 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-10-22 14:31:31 +00:00
sjplimp 0e28d227fe git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8981 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-10-19 15:50:04 +00:00
sjplimp e909744928 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8910 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-10-05 15:24:56 +00:00
sjplimp b912c81417 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8909 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-10-05 15:21:54 +00:00
sjplimp 7b5385eac6 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8851 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-10-02 14:48:50 +00:00
sjplimp a897f70c43 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8582 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-08-08 17:17:42 +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 5747c99cd8 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8330 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-06-19 15:32:37 +00:00
sjplimp 5c3adddd85 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8261 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-06-12 22:54:32 +00:00
sjplimp 69452129e4 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8071 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-05-17 19:36:30 +00:00
sjplimp 567878bc65 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7999 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-03-29 14:50:01 +00:00
sjplimp 9add1067ad git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7789 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-02-14 20:44:45 +00:00
sjplimp 301e696b5e git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7685 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-02-03 16:24:17 +00:00
sjplimp 9b3b8d2f3a git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7682 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-02-03 15:53:39 +00:00
sjplimp 2c42373bc8 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7644 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-02-01 16:07:44 +00:00
sjplimp 670b92333d git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7615 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-01-31 00:36:58 +00:00
sjplimp edcd54b2eb git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7433 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-01-06 17:36:55 +00:00
sjplimp 5a03365db1 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7179 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-10-24 17:46:58 +00:00
sjplimp 504227e2e6 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7046 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-10-07 23:44:14 +00:00
sjplimp 4c107e07a4 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7017 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-09-30 16:03:38 +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 b806706398 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6972 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-09-15 14:26:58 +00:00
sjplimp 1ce29fc9a1 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6656 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-08-08 23:10:20 +00:00
sjplimp 32a2028114 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6498 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-07-01 14:14:15 +00:00
sjplimp 5d163c9505 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6469 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-06-23 14:09:25 +00:00
sjplimp c6d9d554f0 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6468 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-06-23 13:43:02 +00:00
sjplimp fe953700a5 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6461 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-06-22 13:41:43 +00:00
sjplimp b303b5b852 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6338 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-06-08 20:23:37 +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
athomps 3da0d2cdb5 Added bond info script for pair reax/c 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6091 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2011-05-12 21:43:56 +00:00
sjplimp 2be078632d git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6052 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-05-02 15:02:09 +00:00
sjplimp e2d5478a6c git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5951 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-04-15 22:57:52 +00:00
sjplimp 17f9667059 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5933 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-04-13 21:40:28 +00:00
sjplimp a3a9b135d6 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5923 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-04-11 19:42:41 +00:00
athomps 543f7bc483 Added checks for natoms=0 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5866 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2011-03-28 18:11:08 +00:00
athomps 72659777e9 Added stuff to handle error messages in log files 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5806 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2011-03-21 22:41:38 +00:00
athomps 5137794d5a Added reax to README 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5805 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2011-03-21 22:40:35 +00:00
sjplimp faf9b4f21b git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5713 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-02-22 22:33:57 +00:00
sjplimp 49b72ac36e git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5712 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-02-22 22:32:28 +00:00
sjplimp 8b7754f68a git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5646 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-02-15 19:26:53 +00:00
sjplimp 11e80405e1 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5542 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-01-12 15:28:26 +00:00
sjplimp 663cd083d8 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5523 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-01-11 00:43:41 +00:00
sjplimp 66f56f982c git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5505 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-01-07 21:57:45 +00:00
sjplimp 15c856bcaa git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5502 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-01-07 17:58:43 +00:00
sjplimp b414a4a22a git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5464 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-01-04 19:49:15 +00:00
sjplimp a69ca213b6 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5461 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-01-04 19:22:15 +00:00
sjplimp dd111e21d2 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5460 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-01-04 19:21:40 +00:00
sjplimp 16e92ca3e0 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5423 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2010-12-21 17:53:18 +00:00
athomps ad526c6d87 Made bondConnectCheck.f90 work. 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5390 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2010-12-09 20:30:36 +00:00
athomps 9c8393dd3a git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5389 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2010-12-09 20:16:56 +00:00
athomps 4bd0f5d3fd Added Cutoff.dic and bonds.reax 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5388 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2010-12-09 20:16:31 +00:00
athomps ef3e26cbf3 Added mol_frac.c 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5387 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2010-12-09 20:15:48 +00:00
athomps a60ee728a4 Added directory reax 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5385 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2010-12-09 19:53:17 +00:00
athomps 5413153d99 Added emacs line to README 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5361 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2010-12-03 23:01:07 +00:00
athomps 6c8dd4a34a Added emacs syntax highlighting 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5360 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2010-12-03 19:18:50 +00:00
athomps a9dd87de56 Added emacs syntax highlighting 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5359 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2010-12-03 19:05:23 +00:00
athomps fdc735ee11 Added new instructions and new commands 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5353 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2010-12-01 22:18:08 +00:00
athomps b2f72fbddd Added new instructions and new commands 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5352 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2010-12-01 22:11:49 +00:00
sjplimp 6ae9bff1fb git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5296 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2010-11-24 14:16:39 +00:00
sjplimp d9b78fef10 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5293 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2010-11-24 14:10:29 +00:00
pscrozi 8ba792f112 Updating restart2data.cpp to reflect new GPU pair styles --- all changes courtesy of Axel. 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5292 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2010-11-23 21:28:42 +00:00
sjplimp c5c8dbbf3f git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5251 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2010-11-17 18:44:00 +00:00
sjplimp fb3c30a824 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4989 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2010-10-06 23:26:13 +00:00
sjplimp 53c01eb323 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4988 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2010-10-06 23:25:12 +00:00
sjplimp f5b957c85a git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4922 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2010-09-30 23:17:39 +00:00
sjplimp 083aebc785 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4921 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2010-09-30 23:12:56 +00:00
sjplimp b2e57ae886 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4919 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2010-09-30 23:10:46 +00:00
sjplimp 0d0fd0afac git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4913 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2010-09-30 21:24:52 +00:00
sjplimp c1b687c17d git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4859 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2010-09-27 16:28:29 +00:00
sjplimp f3c76494de git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4858 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2010-09-27 16:28:05 +00:00
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sjplimp a133ae5a4a git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4703 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2010-09-06 17:21:59 +00:00
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sjplimp 79602bac2d git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@341 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2007-02-22 19:57:04 +00:00
sjplimp 6b68f0c54e git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@295 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2007-02-12 17:48:41 +00:00
sjplimp 6e94c3652b git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@280 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2007-02-09 21:34:10 +00:00
sjplimp b5ef245e1c git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@250 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2007-01-29 23:25:38 +00:00
pscrozi b8fdf06262 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
 2007-01-09 15:05:41 +00:00
sjplimp 67168ce64c git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@179 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2006-12-08 17:23:17 +00:00
sjplimp acaa3ebdaa git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@175 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2006-12-07 00:43:04 +00:00
athomps ca3dfbd217 I modified lmp2cfg.f file to eliminate suppression of 
helpful I/O error messages. I also added some info to
the README.txt file explaining these messages.



git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@168 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2006-11-22 22:45:59 +00:00
athomps 7f30601890 These files contained 'H0 (' instead of 'H0(', causing AtomEye to crash. 
The source file was not affected


git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@167 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2006-11-22 22:22:28 +00:00