sjplimp
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dd122f6a0b
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11411 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-01-30 22:50:33 +00:00 |
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sjplimp
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abdec3cb5d
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11410 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-01-30 22:49:40 +00:00 |
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sjplimp
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80ba6c1f63
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11405 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-01-30 22:03:01 +00:00 |
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sjplimp
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31ae0b5456
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11374 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-01-29 15:24:10 +00:00 |
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sjplimp
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4845f423d9
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11373 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-01-29 15:22:21 +00:00 |
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sjplimp
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796c42ceb4
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11357 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-01-28 22:06:59 +00:00 |
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sjplimp
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a3d94884fc
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11356 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-01-28 22:06:51 +00:00 |
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sjplimp
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8e8151fe35
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11355 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-01-28 21:58:50 +00:00 |
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sjplimp
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e3cdc31519
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11354 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-01-28 21:57:36 +00:00 |
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sjplimp
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31a4282f40
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11172 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-01-07 21:43:31 +00:00 |
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sjplimp
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6831bc9d32
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11094 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-12-06 15:15:26 +00:00 |
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sjplimp
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05f12d0a82
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10187 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-06-28 22:23:17 +00:00 |
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athomps
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9659cf6739
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Updated fix reax/c/bonds command to remove time averaging. Update the pair_coeff command to use chemical symbols instead of integers
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9561 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-03-04 19:42:18 +00:00 |
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athomps
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3ae5083560
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Updated fix reax/c/bonds command to remove time averaging. Update the pair_coeff command to use chemical symbols instead of integers
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9560 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-03-04 19:19:54 +00:00 |
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athomps
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edc95d9a42
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Added fix_species
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9517 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-02-15 21:29:41 +00:00 |
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sjplimp
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7ebdff8bbd
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9514 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-02-15 21:00:56 +00:00 |
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sjplimp
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2654f62891
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9513 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-02-15 20:19:33 +00:00 |
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athomps
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19a0bc490e
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Updated ReaxFF ZnO citation
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9331 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-01-25 20:01:07 +00:00 |
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athomps
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c8086bffe6
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Updated ReaxFF ZnO citation
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9330 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-01-25 19:39:24 +00:00 |
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athomps
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585eaa3bee
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Added fix reax/c/bonds
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8051 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-05-08 15:49:51 +00:00 |
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athomps
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f5d54c5ac1
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7988 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-03-28 17:12:09 +00:00 |
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athomps
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268a29a99a
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ffield.reax made identical to ffield.reax.rdx
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7976 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-03-23 23:25:46 +00:00 |
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sjplimp
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2ab478095e
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7733 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-02-09 16:14:12 +00:00 |
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sjplimp
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ec06aed001
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7546 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-01-12 19:03:12 +00:00 |
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sjplimp
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34c1930201
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7497 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-01-10 01:54:14 +00:00 |
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sjplimp
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9a3ab257bd
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7495 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-01-10 01:39:21 +00:00 |
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athomps
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2d099c8e7c
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Added example of nphug
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6920 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-09-02 02:45:31 +00:00 |
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athomps
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4fa9d24d7e
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Removed unneeded changes to input scripts
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6090 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-05-12 21:31:44 +00:00 |
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athomps
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022748a56e
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Added bond output
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6089 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-05-12 21:23:27 +00:00 |
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sjplimp
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a290cc6874
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5852 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-03-26 23:02:38 +00:00 |
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sjplimp
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06737e36b0
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5851 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-03-26 22:44:59 +00:00 |
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sjplimp
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d8fe7a91f0
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5850 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-03-26 22:41:19 +00:00 |
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athomps
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3ce83810ef
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Added README files to subdirectories
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5681 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-02-21 19:01:30 +00:00 |
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athomps
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355da9b2ec
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Removed dump files from repository
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5679 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-02-21 17:20:57 +00:00 |
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athomps
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caeb58a5eb
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Tweaked README
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5677 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-02-21 17:10:03 +00:00 |
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athomps
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79ec2261bb
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Added some new ReaxFF examples
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5673 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-02-19 03:56:58 +00:00 |
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athomps
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e97d56339b
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Added another output file.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5386 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2010-12-09 19:55:23 +00:00 |
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athomps
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733eb154db
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Tweaked TATB output
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5239 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2010-11-11 23:15:46 +00:00 |
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athomps
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fb51a67f64
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Added potential gradient columns
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5222 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2010-11-05 23:57:29 +00:00 |
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athomps
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8860ab54ec
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Modified pair_styles reax and reax/c
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5153 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2010-10-26 20:58:41 +00:00 |
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sjplimp
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0d3cb6da6b
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4713 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2010-09-06 19:28:56 +00:00 |
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sjplimp
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0356891730
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4712 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2010-09-06 19:28:45 +00:00 |
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sjplimp
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64f14417e7
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4711 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2010-09-06 19:26:20 +00:00 |
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athomps
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cca0a504ae
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Added charge values to dump output.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4132 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2010-05-14 16:40:49 +00:00 |
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athomps
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6534fc5452
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Remove Strachan reference in header
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3814 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2010-02-19 19:04:10 +00:00 |
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sjplimp
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2e51680815
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3691 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2010-01-14 23:33:28 +00:00 |
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sjplimp
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59905ad99a
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2975 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2009-07-02 22:30:53 +00:00 |
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sjplimp
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f4cc5550f7
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2966 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2009-07-02 20:23:49 +00:00 |
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athomps
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4b5e390775
|
Removed Si from ffield.reax
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2876 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2009-06-09 19:19:29 +00:00 |
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athomps
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1293b29453
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Added Strachan reference.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2834 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2009-06-01 20:16:04 +00:00 |