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110 Commits

Author SHA1 Message Date
sjplimp 79410e394f git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9509 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-02-15 17:32:15 +00:00
athomps 0c292ed533 Initialized force in default single() 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9274 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2013-01-15 19:08:06 +00:00
sjplimp 8ac15dc83f git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8976 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-10-19 15:34:11 +00:00
pscrozi 7b8bede0f1 Changes to coulomb tables. 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8974 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2012-10-17 23:28:42 +00:00
sjplimp f47d2a82b6 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8867 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-10-02 20:11:58 +00:00
sjplimp 33a6f3c60e git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8801 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-09-19 14:31:22 +00:00
sjplimp 1bc399ec36 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8795 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-09-18 22:55:16 +00:00
sjplimp dba019f3e4 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8723 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-08-28 14:21:55 +00:00
sjplimp 912cfaca75 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8497 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-07-25 15:15:41 +00:00
sjplimp 58f17efa4b git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8459 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-07-02 14:28:16 +00:00
pscrozi 71f4cdf3f1 Adding a method for estimating coulomb table precision and factoring that into overall kspace precision estimate. 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8453 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2012-06-29 22:49:51 +00:00
sjplimp ef9e700545 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8226 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-06-06 22:47:51 +00:00
sjplimp 5d8ad63914 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8196 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-05-30 14:18:02 +00:00
athomps 8af67f39d0 Added ev_unset() function 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8059 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2012-05-14 22:10:30 +00:00
athomps 76b4aec8e5 Fixed reax per-atom energy and virial at periodic boundary 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8050 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2012-05-07 20:33:25 +00:00
sjplimp e4974ae9af git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8016 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-04-12 22:32:17 +00:00
sjplimp 55fbe648f1 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7964 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-03-21 14:33:49 +00:00
sjplimp f55b74a85f git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7804 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-02-16 16:13:15 +00:00
sjplimp da9de94385 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7605 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-01-30 22:21:26 +00:00
sjplimp 6e8418d36f git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7456 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-01-06 20:45:50 +00:00
sjplimp 4f48544d41 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7379 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-12-16 21:15:49 +00:00
sjplimp 891740f4a2 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7374 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-12-16 01:37:13 +00:00
sjplimp ba728e5e07 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7262 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-12-01 15:47:17 +00:00
sjplimp f823c6e4fc git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7247 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-12-01 00:19:01 +00:00
sjplimp fdba4b962b git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7189 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-10-25 15:19:06 +00:00
sjplimp c6bbdcfbf2 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7184 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-10-24 20:28:02 +00:00
sjplimp 15203cb792 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7039 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-10-06 17:55:48 +00:00
sjplimp 2e32772d1d git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7031 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-10-06 14:25:53 +00:00
sjplimp 1d743442b3 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6816 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-08-25 19:21:40 +00:00
sjplimp ba76216025 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6572 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-08-01 14:06:52 +00:00
sjplimp 147842df01 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6327 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-06-07 18:06:14 +00:00
sjplimp eb7d288360 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5896 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-04-05 19:10:43 +00:00
sjplimp 159d131e37 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5797 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-03-18 15:09:03 +00:00
pscrozi 64dc05333c git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5279 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2010-11-23 00:42:11 +00:00
sjplimp 3bdd4924a5 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5107 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2010-10-22 21:27:35 +00:00
sjplimp d6f114046d git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5090 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2010-10-22 14:31:20 +00:00
sjplimp 25e12e86ed git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5058 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2010-10-18 17:00:05 +00:00
sjplimp 5810937ea9 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4685 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2010-09-03 23:12:51 +00:00
sjplimp a5f54fa1e2 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4589 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2010-08-25 17:03:55 +00:00
sjplimp 363f9f5f5d git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4471 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2010-08-09 14:42:03 +00:00
sjplimp f3404df0f4 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4295 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2010-06-18 16:00:04 +00:00
sjplimp 2c643b7dc5 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3655 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2010-01-12 01:37:48 +00:00
sjplimp 32adc325aa git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3295 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2009-11-02 20:59:26 +00:00
sjplimp 7a60bdcb9a git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3247 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2009-10-29 22:03:02 +00:00
sjplimp 191f7663d1 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3246 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2009-10-29 21:53:53 +00:00
sjplimp 64c45b8d56 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3245 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2009-10-29 21:50:07 +00:00
sjplimp 33ff40dd7e git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3074 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2009-08-14 20:54:10 +00:00
sjplimp 04a5fb2526 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2871 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2009-06-08 18:29:00 +00:00
sjplimp 0cc1d090f4 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2330 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2009-01-05 22:26:08 +00:00
sjplimp 7732b4f0c2 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2051 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2008-08-13 14:39:45 +00:00
sjplimp 227f28c324 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1372 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2008-01-17 17:01:57 +00:00
sjplimp b2e9f7dc10 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1272 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2008-01-02 19:24:46 +00:00
sjplimp 8fb52958ce git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1193 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2007-11-30 21:54:30 +00:00
sjplimp 0f3f037edc git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1000 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2007-10-10 22:22:16 +00:00
sjplimp aef3f32236 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@951 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2007-10-04 17:57:04 +00:00
sjplimp 9be7620ace git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@937 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2007-10-03 16:22:30 +00:00
sjplimp ced2f61033 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@399 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2007-03-15 21:49:48 +00:00
sjplimp 9e1f8bcd6a git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@371 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2007-03-08 00:54:02 +00:00
sjplimp 209f169cbc git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@254 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2007-01-30 00:22:05 +00:00
sjplimp 222c95507e git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@26 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2006-09-27 19:51:33 +00:00