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5570 Commits

Author SHA1 Message Date
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
athomps 598f1e2274 Enabled zero-valued twobody Tersoff parameters 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@248 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2007-01-22 21:20:21 +00:00
sjplimp b1f5b7aa2a git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@247 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2007-01-22 15:32:17 +00:00
athomps 1d85b26103 added cdte.sw and added comment to si.sw 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@246 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2007-01-18 00:26:12 +00:00
sjplimp 149e3fc484 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@245 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2007-01-18 00:02:00 +00:00
sjplimp 6466fa0980 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@244 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2007-01-17 23:59:33 +00:00
sjplimp 7c6b478472 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@243 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2007-01-17 20:52:30 +00:00
sjplimp 30a7fcd23d git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@242 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2007-01-17 20:23:28 +00:00
sjplimp 9c95030827 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@216 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2007-01-12 16:00:28 +00:00
sjplimp 2b2eef7310 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@215 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2007-01-11 15:14:07 +00:00
sjplimp dfa6e4ab41 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@214 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2007-01-10 16:11:31 +00:00
sjplimp 4c58c011ac git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@213 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2007-01-10 16:10:27 +00:00
sjplimp f9a048e353 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@212 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2007-01-10 16:09:24 +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 864e0e57f3 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@209 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2006-12-19 16:45:23 +00:00
sjplimp e799670381 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@208 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2006-12-19 16:44:20 +00:00
sjplimp 5c22269d4e git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@207 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2006-12-19 16:39:30 +00:00
sjplimp 828e342394 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@205 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2006-12-19 16:33:33 +00:00
sjplimp d4dc00e321 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@204 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2006-12-19 16:33:08 +00:00
athomps c53730f2e9 Added enthalpy to list of thermo attributes 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@203 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2006-12-16 02:56:14 +00:00
sjplimp d99ec65f8c git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@197 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2006-12-15 22:53:57 +00:00
sjplimp eaddb7a95a git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@196 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2006-12-15 22:10:01 +00:00
sjplimp 45e38df6d3 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@195 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2006-12-15 16:08:14 +00:00
athomps fa679fd3e1 Increased format precision for substituted variables 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@194 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2006-12-15 00:18:12 +00:00
athomps 2041f82bc4 Increased MAXLINE and added overflow check in substitute() 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@193 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2006-12-14 22:30:51 +00:00
pscrozi 869e9ba92e git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@191 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2006-12-13 16:50:24 +00:00
sjplimp e5d19d4a9e git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@188 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2006-12-13 00:37:25 +00:00
sjplimp c57dba1d65 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@187 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2006-12-13 00:36:28 +00:00
sjplimp bea8025b93 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@186 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2006-12-13 00:34:21 +00:00
sjplimp b7fa9e90dc git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@185 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2006-12-11 16:11:08 +00:00
sjplimp 81311f4f0f git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@183 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2006-12-11 15:32:21 +00:00
pscrozi 056030a211 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@182 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2006-12-11 15:30:37 +00:00
pscrozi 19c4317a59 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@181 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2006-12-11 15:19:16 +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 8d300a54e4 command line var setting bug fix 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@176 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2006-12-07 00:43:51 +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
pscrozi 5acd6a96b5 Updated tbird compile script 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@174 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2006-12-01 21:57:21 +00:00
athomps 84c86db5a4 Corrected spelling in ReaxFF reference. 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@173 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2006-11-28 21:05:44 +00:00
sjplimp 7894c03dec git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@171 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2006-11-28 17:00:39 +00:00
sjplimp 00ed5ab33f git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@170 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2006-11-28 17:00:29 +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
sjplimp 89753028d7 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@165 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2006-11-17 19:13:19 +00:00
sjplimp c7a515ac6d git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@163 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2006-11-16 17:40:18 +00:00
sjplimp 8d1c25c72f git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@158 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2006-11-15 15:09:03 +00:00
sjplimp 8d472f2113 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@156 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2006-11-15 00:25:39 +00:00
sjplimp ff281681e3 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@154 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2006-11-14 14:54:17 +00:00
sjplimp 518ae661f8 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@152 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2006-11-13 22:49:27 +00:00
sjplimp d03919e9f4 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@151 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2006-11-13 22:22:22 +00:00
sjplimp ac60b08b69 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@150 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2006-11-13 22:18:34 +00:00