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f6a819580c
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pair TIP4P bug fix for cutoffs >> box size
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2017-01-06 09:57:27 -07:00 |
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634eb357d2
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synchronize pppm/cg with pppm and remove block on triclinic
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2016-12-24 16:09:18 -05:00 |
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ae5764beac
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added functionity to lib interface
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2016-12-13 16:22:17 -07:00 |
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a5c6104d64
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Initialize pointers in KSPACE
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2016-11-07 16:54:59 +01:00 |
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f0131393e0
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Merge pull request #248 from akohlmey/collected-small-fixes
collected small bugfixes and updates
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2016-11-04 10:58:42 -06:00 |
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c8f4b55588
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avoid uninitialized data for using ewald/disp with lj only
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2016-11-01 16:48:30 -04:00 |
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782a328080
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avoid memory leaks when using kspace solvers for lennard-jones
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2016-11-01 14:55:13 -04:00 |
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e81ae21dbd
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do not access uninitialized data for ewald/disp and pppm/disp
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2016-11-01 14:54:16 -04:00 |
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35753b8f08
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add error location propagation to force->bounds() and force->boundsbig()
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2016-10-26 15:53:02 -04:00 |
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9b2d5ff3e7
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remove executable permissions on non-executables and non-scripts
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2016-09-08 14:45:07 -04:00 |
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3bb3c1a45c
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add pppm/kk and fix reax/c issues
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2016-09-06 10:46:51 -06:00 |
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b5836fa491
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15401 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-07-30 14:47:01 +00:00 |
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ae255c847b
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15375 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-07-27 22:51:18 +00:00 |
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ddd85f006c
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15369 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-07-27 14:04:56 +00:00 |
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876b033ea8
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15083 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-05-31 16:33:07 +00:00 |
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eb8fdc4ab6
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14831 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-04-15 16:08:22 +00:00 |
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9e20448834
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14582 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-02-08 16:18:20 +00:00 |
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0939eb1ee9
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14372 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-12-15 22:30:45 +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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cee848f948
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14164 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-10-22 22:06:49 +00:00 |
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8a10c55a3b
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14139 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-10-21 19:39:28 +00:00 |
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9a878cdd67
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14128 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-10-21 18:29:37 +00:00 |
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ce59e32d1c
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13937 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-08-28 20:00:56 +00:00 |
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2f55b6da36
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13903 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-08-19 14:55:57 +00:00 |
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6106843d57
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13467 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-05-15 16:51:23 +00:00 |
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09581bb143
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13460 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-05-14 14:42:02 +00:00 |
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d72fcf5acc
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13303 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-03-27 13:41:29 +00:00 |
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b977c7a13b
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13290 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-03-25 16:03:25 +00:00 |
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ac0b1d1ac3
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13280 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-03-23 23:51:04 +00:00 |
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84a5ec39ec
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13278 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-03-23 23:30:50 +00:00 |
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da43baf1ff
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Fixing a few bugs in Kokkos
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13146 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-02-23 23:45:29 +00:00 |
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4e8c2824e3
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2015-02-19 23:38:45 +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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4a975dd8cf
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12957 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-01-19 23:49:20 +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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aeb7fec23a
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12814 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-12-02 02:15:39 +00:00 |
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21ac09ad9c
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12715 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-11-18 00:17:02 +00:00 |
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7518fae9bc
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-10-21 17:09:24 +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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e8b64a9080
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Fixed memory error in ewald_disp.cpp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12563 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-09-26 18:45:18 +00:00 |
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b74fcc80ac
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2014-08-25 16:49:25 +00:00 |
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4ea728dc80
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12348 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-08-25 16:01:17 +00:00 |
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0f6eb0877e
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12310 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-08-14 16:30:03 +00:00 |
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c1e12f9508
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12285 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-08-08 17:55:44 +00:00 |
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9026afed5c
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12284 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-08-08 14:25:15 +00:00 |
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3f3446e8dd
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12274 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-08-07 14:23:14 +00:00 |
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3dace181b7
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12237 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-08-01 14:42:16 +00:00 |
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8b6dd56190
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12235 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-07-31 21:39:36 +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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