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238c17e0c7
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2015-10-23 00:34:56 +00:00 |
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sjplimp
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9057c42350
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14187 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-10-23 00:30:53 +00:00 |
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sjplimp
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d8c16fb28d
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14171 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-10-22 22:56:04 +00:00 |
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athomps
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c7170a4296
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Added Vashishta potential
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14117 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-10-15 17:39:43 +00:00 |
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athomps
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edf114fd25
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Changed DATA to DATE in headers
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14116 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-10-15 17:36:54 +00:00 |
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athomps
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d472396a46
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Modifed ZBL to accomodate mixing
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14050 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-09-23 00:43:23 +00:00 |
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sjplimp
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0b5f034699
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13752 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-07-28 15:21:59 +00:00 |
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sjplimp
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66a82e3772
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13751 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-07-28 15:21:03 +00:00 |
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sjplimp
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303d9b9f54
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13706 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-07-24 14:16:56 +00:00 |
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sjplimp
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5b9dbb2d68
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13692 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-07-23 14:56:20 +00:00 |
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sjplimp
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eb6c99bf19
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13554 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-07-08 15:31:25 +00:00 |
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sjplimp
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a222aa29d9
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13553 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-07-08 15:31:07 +00:00 |
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sjplimp
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d4ff848ea8
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13552 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-07-08 15:20:38 +00:00 |
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sjplimp
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596a3a92ae
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13547 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-07-08 15:00:14 +00:00 |
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sjplimp
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9414009de0
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13545 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-07-08 14:47:33 +00:00 |
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sjplimp
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29557ef393
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13519 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-07-06 14:10:25 +00:00 |
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sjplimp
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36c6120f3d
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13140 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-02-19 23:59:09 +00:00 |
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sjplimp
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8589d37527
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13137 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-02-19 23:46:18 +00:00 |
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athomps
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e2ff85f14c
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Tweaked attributions
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12636 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-10-14 20:48:57 +00:00 |
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sjplimp
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b1fea4af6c
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12633 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-10-10 21:15:24 +00:00 |
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athomps
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1c28231331
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Added metadata line to each potential file
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12625 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-10-09 03:24:00 +00:00 |
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sjplimp
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9ad09005a6
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12617 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-10-07 21:55:45 +00:00 |
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athomps
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4bb43ca885
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Added warning to README file
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12587 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-10-06 22:53:40 +00:00 |
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sjplimp
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b3e0966911
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12418 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-09-05 22:59:31 +00:00 |
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sjplimp
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0d4c0446b7
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12181 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-07-11 22:10:48 +00:00 |
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sjplimp
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634881f8ce
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11441 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-02-01 18:04:43 +00:00 |
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sjplimp
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bbc2b231ba
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10943 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-11-04 17:23:17 +00:00 |
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sjplimp
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61f0ca1390
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10424 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-07-26 16:36:53 +00:00 |
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sjplimp
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5a0cd49c32
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10419 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-07-26 16:04:51 +00:00 |
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sjplimp
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0e4a0f8609
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10418 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-07-26 16:04:33 +00:00 |
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sjplimp
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b05bc24af6
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10188 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-06-28 22:23:48 +00:00 |
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sjplimp
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e1b6faf8ed
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10185 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-06-28 21:30:26 +00:00 |
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sjplimp
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1f4b523d6b
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10183 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-06-28 21:28:15 +00:00 |
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athomps
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471694a7e7
|
Added Strachan citation to rdx, removed Al_Al0_AlN
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9889 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-05-17 15:18:19 +00:00 |
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athomps
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e7f6d3b60c
|
Added ReaxFF.lg citation
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9888 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-05-17 15:06:33 +00:00 |
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athomps
|
860009b734
|
Added citations to headers
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9880 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-05-14 15:11:58 +00:00 |
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sjplimp
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45a4e8a1a6
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9697 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-03-21 14:41:56 +00:00 |
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athomps
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298f8732e9
|
Updated ReaxFF ZnO citation
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9329 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-01-25 19:39:08 +00:00 |
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sjplimp
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e56f184f27
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9026 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-10-26 23:28:57 +00:00 |
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sjplimp
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ab5264cbdc
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8429 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-06-29 15:51:16 +00:00 |
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sjplimp
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7d32a328db
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8428 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-06-29 15:51:11 +00:00 |
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sjplimp
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b6303a1e83
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8403 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-06-26 00:53:16 +00:00 |
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sjplimp
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8d596842eb
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8123 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-05-22 15:00:18 +00:00 |
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sjplimp
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fac9a176b9
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7990 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-03-28 22:12:21 +00:00 |
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athomps
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fe76ba56ed
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Remove default ReaxFF file
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7987 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-03-28 17:10:39 +00:00 |
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athomps
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df3684bc83
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ffield.reax made identical to ffield.reax.rdx
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7975 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-03-23 23:25:31 +00:00 |
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sjplimp
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40b3346da5
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7655 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-02-01 22:45:50 +00:00 |
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sjplimp
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5b62a1cb92
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7452 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-01-06 20:37:39 +00:00 |
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sjplimp
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e62a6b19bf
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7198 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-10-25 16:24:23 +00:00 |
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sjplimp
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defd9d82a6
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6977 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-09-15 15:35:41 +00:00 |
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sjplimp
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971eb93e72
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6442 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-06-20 15:09:33 +00:00 |
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sjplimp
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a17c820012
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6441 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-06-20 15:08:04 +00:00 |
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sjplimp
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be8b287dce
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6063 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-05-03 17:35:22 +00:00 |
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sjplimp
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a13a1dcb52
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6062 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-05-03 17:35:05 +00:00 |
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athomps
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e0471a3963
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Added three SiC Tersoff files
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6019 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-04-26 21:35:24 +00:00 |
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athomps
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b4de29a7c3
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Added erratum for Tersoff_2
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6017 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-04-26 17:49:54 +00:00 |
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sjplimp
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631d5da654
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5829 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-03-25 15:53:01 +00:00 |
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sjplimp
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1d0bef316f
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5697 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-02-22 20:20:14 +00:00 |
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athomps
|
97773d1c15
|
Added some new ReaxFF examples
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5672 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-02-19 03:53:12 +00:00 |
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sjplimp
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ef846b16c1
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5652 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-02-15 19:56:18 +00:00 |
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athomps
|
0bfbb388dd
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Removed extra elements
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5580 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-01-28 17:38:58 +00:00 |
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sjplimp
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0c25b0f19b
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5406 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2010-12-17 21:31:09 +00:00 |
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athomps
|
fd6c22a70f
|
Set unused parameters to zero
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5240 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2010-11-12 23:32:32 +00:00 |
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athomps
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f9c3f5b405
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Added potential gradient columns
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5225 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2010-11-05 23:59:51 +00:00 |
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athomps
|
9225c4a45d
|
Turned on kc2
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5214 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2010-11-03 21:30:23 +00:00 |
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athomps
|
a2dba93f2c
|
Modified pair_styles reax and reax/c
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5154 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2010-10-26 21:08:48 +00:00 |
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sjplimp
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bf71465f74
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4688 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2010-09-04 00:27:09 +00:00 |
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sjplimp
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0f145cd71b
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4636 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2010-09-01 00:31:26 +00:00 |
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sjplimp
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9396fad701
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4488 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2010-08-16 18:51:36 +00:00 |
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sjplimp
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612fcd9d94
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4039 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2010-04-23 19:01:26 +00:00 |
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athomps
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0c7aed155a
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3816 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2010-02-19 19:09:45 +00:00 |
|
athomps
|
bce258f009
|
Added ReaxFF parameter files
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3815 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2010-02-19 19:05:26 +00:00 |
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athomps
|
b747186dec
|
Set unused paramters to zero
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3759 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2010-01-29 18:02:42 +00:00 |
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athomps
|
493bf46dfd
|
Added latest mixing rule
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3543 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2009-12-15 20:06:01 +00:00 |
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athomps
|
1894ba057c
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Removed Si from this file
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3429 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2009-11-18 15:18:37 +00:00 |
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sjplimp
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0b0e227614
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3311 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2009-11-05 19:59:42 +00:00 |
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sjplimp
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97e7724158
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2841 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2009-06-03 19:59:19 +00:00 |
|
athomps
|
e006e2c426
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Added Erhart/Albe SiC tersoff potential from Felix Ulomek
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2804 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2009-05-05 17:18:23 +00:00 |
|
athomps
|
4090c2c4c6
|
Corrected values of R for j!=k interactions
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2762 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2009-04-15 20:04:17 +00:00 |
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athomps
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71fee196e6
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Updated SiCGe.tersoff to reflect Tersoff's subsequent errata
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2675 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2009-03-18 16:59:56 +00:00 |
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sjplimp
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b960f4a534
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2631 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2009-03-05 22:02:40 +00:00 |
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sjplimp
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9b95b33ddb
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2550 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2009-02-06 16:10:15 +00:00 |
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sjplimp
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5ec7eee4ed
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2450 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2009-01-12 22:22:37 +00:00 |
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sjplimp
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4d0f8ccf18
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2279 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2008-12-04 15:55:55 +00:00 |
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sjplimp
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926394fc45
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2136 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2008-10-01 16:28:02 +00:00 |
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sjplimp
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01f7381bc1
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2123 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2008-10-01 15:02:55 +00:00 |
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sjplimp
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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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sjplimp
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3b31792dac
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1465 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2008-02-06 15:07:44 +00:00 |
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athomps
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5053edff34
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Tweaked *.sw files
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1439 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2008-01-31 16:28:56 +00:00 |
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athomps
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f61fe90e17
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Tweaked comments in GaN.sw
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1438 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2008-01-31 16:12:54 +00:00 |
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athomps
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c3a1d27d21
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Modified pair_sw files
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1434 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2008-01-30 06:13:26 +00:00 |
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sjplimp
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7a1d7a7f87
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1374 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2008-01-17 17:04:27 +00:00 |
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sjplimp
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97b367f0ba
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1186 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2007-11-30 14:54:17 +00:00 |
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sjplimp
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702adeb8e7
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1098 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2007-10-25 16:27:54 +00:00 |
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athomps
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b94366639e
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Fixed typo in comments that were added at the end
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1080 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2007-10-22 21:20:15 +00:00 |
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athomps
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398c86cb9b
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Updated and augmented Tersoff potential files
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1076 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2007-10-22 19:18:41 +00:00 |
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sjplimp
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fa13cb8ead
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1029 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2007-10-12 16:24:01 +00:00 |
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sjplimp
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570e54f1e7
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@846 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2007-09-12 13:33:30 +00:00 |
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sjplimp
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dbe8b783f8
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@720 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2007-07-03 14:31:02 +00:00 |
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sjplimp
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f192346d11
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@719 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2007-07-03 14:27:46 +00:00 |