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c46be7db62
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changes to imbalance weight factors
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2016-10-05 10:33:39 -06:00 |
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b4785cd038
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Adding Kokkos version of PPPM
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15535 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-09-01 20:53:40 +00:00 |
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4314ef01f6
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14876 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-04-26 18:32:11 +00:00 |
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354e20f431
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-10-30 20:04:06 +00:00 |
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ccac6df71d
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13129 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-02-19 23:17:27 +00:00 |
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9312336d24
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13112 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-02-13 22:15:04 +00:00 |
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1eb5be1591
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12950 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-01-19 22:14:11 +00:00 |
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aaa76b5649
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Fixing bug
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12730 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-11-19 15:56:24 +00:00 |
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f350cc4ec7
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12637 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-10-20 21:17:46 +00:00 |
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166a9c5bc7
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12621 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-10-07 23:03:23 +00:00 |
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f45b388d12
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Fixing a bug in the kspace error estimator for triclinic systems
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12529 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-09-23 22:29:05 +00:00 |
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71f5c17f67
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12368 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-08-27 16:25:02 +00:00 |
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df5c028ad4
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12238 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-08-01 14:42:32 +00:00 |
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e8dd5814f3
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12233 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-07-30 17:37:50 +00:00 |
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fe1ade5fad
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12231 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-07-30 14:59:20 +00:00 |
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bfd3e3a684
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11757 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-04-09 16:51:15 +00:00 |
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d54bd651a3
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11646 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-03-19 19:00:18 +00:00 |
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7b291636cf
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11633 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-03-14 22:28:09 +00:00 |
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9fe494cc6a
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11380 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-01-29 18:59:46 +00:00 |
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74be71df0b
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11267 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-01-20 23:54:27 +00:00 |
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7b71c0dfd5
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Added kmax/ewald keyword
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10852 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-10-03 22:20:29 +00:00 |
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b292458b40
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10135 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-06-27 23:52:42 +00:00 |
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440d389779
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10130 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-06-27 23:50:33 +00:00 |
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5b7440bf64
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10034 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-06-06 14:54:57 +00:00 |
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7f18289ee3
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10010 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-06-04 14:55:56 +00:00 |
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7018102f9f
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9847 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-05-08 21:08:55 +00:00 |
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bfdbe3ab87
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9846 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-05-08 20:48:19 +00:00 |
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817ed05528
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9453 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-02-12 17:13:48 +00:00 |
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c7de837724
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9281 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-01-17 16:01:06 +00:00 |
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a67b94ddb7
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9172 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-01-02 16:15:05 +00:00 |
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c62169953b
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8982 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-10-19 16:02:26 +00:00 |
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8ac15dc83f
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8976 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-10-19 15:34:11 +00:00 |
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6a4b2a601c
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8972 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-10-16 18:51:02 +00:00 |
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fe2278f1b7
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8952 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-10-12 19:45:06 +00:00 |
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bf38f77b44
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Removing ability to set split order for MSM since it is no longer needed.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8931 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-10-10 00:18:54 +00:00 |
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f47d2a82b6
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8867 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-10-02 20:11:58 +00:00 |
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953061d658
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8855 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-10-02 16:36:24 +00:00 |
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c02f4b07a2
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Releasing MSM "v2" for LAMMPS.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8831 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-10-01 17:47:47 +00:00 |
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20a11e138a
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Adding MSM stuff to kspace.cpp/h.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8779 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-09-13 19:59:27 +00:00 |
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dba019f3e4
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8723 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-08-28 14:21:55 +00:00 |
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4a0601f875
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Adding in a new slab option for Jeremy Templeton. Invoked by "kspace_modify slab nozforce", which run slab mode with no long-range z forces.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8464 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-07-03 17:21:56 +00:00 |
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56ca4db42c
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Improved rms force error estimate for coulomb tables. Now takes into consideration charge density, cutoff, number of atoms, etc.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8463 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-07-03 15:47:48 +00:00 |
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71f4cdf3f1
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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
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2012-06-29 22:49:51 +00:00 |
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ef9e700545
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8226 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-06-06 22:47:51 +00:00 |
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9eeb694432
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8094 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-05-18 22:03:32 +00:00 |
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8e34d4b27a
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8044 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-05-04 19:31:50 +00:00 |
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3191fb7c87
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Adding a differentiation flag option to allow users to select analytic differentiation for PPPM.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8041 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-05-03 15:30:26 +00:00 |
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e4974ae9af
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8016 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-04-12 22:32:17 +00:00 |
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61c4fa6ee0
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7907 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-03-05 15:31:20 +00:00 |
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6a544be9cf
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7858 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-02-28 19:52:12 +00:00 |
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