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7e57e0d834
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update QM/MM coupling interface to the current state of quantum espresso
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2016-06-07 18:24:33 -04:00 |
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afb6f64578
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enable exceptions and type info when compiling voro++
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2016-06-05 16:26:44 -04:00 |
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37b2124cd5
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update colvars to version 2016-05-23
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2016-06-01 07:00:11 -04:00 |
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7f4d0cf11a
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undo LAMMPS-ICMS customizations for USER-CUDA in anticipation of its upstream deletion
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2016-06-01 06:27:19 -04:00 |
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8b0323df32
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update colvars library to 2016-05-10 version
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2016-05-11 06:55:31 -04:00 |
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fbaa883cb6
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update to colvars library to version 2016-05-03
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2016-05-06 04:40:10 -04:00 |
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889065b70e
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Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
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2016-05-04 06:15:44 -04:00 |
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1ded28d214
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bugfix for Vector class scalar division operator. fix return type and value
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2016-05-03 16:10:03 -04:00 |
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f4dc6a4f6d
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Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
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2016-05-03 14:07:24 -04:00 |
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48d65b7fef
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Enabling new kokkos view
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14935 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-05-03 16:24:08 +00:00 |
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91447edb58
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14928 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-05-03 16:11:34 +00:00 |
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665bb5887d
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update makefiles for meam to use fm_exp() and remove obsolete ones
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2016-05-03 10:01:26 -04:00 |
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33ce33ce36
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Reverting back to old kokkos view
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14921 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-05-02 23:40:38 +00:00 |
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fda492ea48
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Updating kokkos lib
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14919 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-05-02 22:10:37 +00:00 |
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0a1b765248
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Updating kokkos lib
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14918 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-05-02 22:06:50 +00:00 |
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00f38fdaf0
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14910 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-04-30 18:06:25 +00:00 |
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90dddbbe97
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small updates to colvars to version 2016-04-28
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2016-04-29 07:30:54 -04:00 |
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17fd5898df
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14900 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-04-28 14:48:56 +00:00 |
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7005d59d25
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update to colvars version of 27-04-2016
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2016-04-27 13:17:41 -04:00 |
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98ed24437d
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14875 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-04-26 18:28:26 +00:00 |
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5f0578f95a
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update colvars to version of 2016-04-20
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2016-04-22 20:50:51 -04:00 |
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184d5dc0f0
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14867 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-04-22 17:51:49 +00:00 |
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35c5f95799
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remove outdated makefiles
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2016-04-20 05:52:36 -04:00 |
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44ca843073
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14841 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-04-18 14:00:58 +00:00 |
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1b78b34323
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permission cleanup
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2016-04-16 14:48:28 -04:00 |
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b3d9ea1344
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whitespace cleanup
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2016-04-16 14:46:53 -04:00 |
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9297032ed4
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use generic byte order preprocessor detection for fast math routines
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2016-04-16 14:43:34 -04:00 |
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dc0734b3f7
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Merge branch 'coul-long-gpu-fixed' of https://github.com/ndtrung81/lammps into merge-pull-49
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2016-04-16 04:40:17 -04:00 |
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9c6c7b2d0c
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Fixed bugs in coul/long/gpu
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2016-04-16 12:26:59 +07:00 |
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a4e8eaaf4d
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14833 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-04-15 16:16:52 +00:00 |
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f50b03fcab
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14830 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-04-15 16:07:28 +00:00 |
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212a955285
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14829 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-04-15 16:07:01 +00:00 |
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ee0630afea
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update colvars library with bugfixes/updates from giacomo and jerome
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2016-04-14 18:43:24 -04:00 |
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ef7e119c86
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14824 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-04-14 14:42:56 +00:00 |
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c46d973c2b
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14823 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-04-13 22:25:46 +00:00 |
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266c247655
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minor cleanups for colvars. update to version 2016-04-08.
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2016-04-08 09:43:41 -04:00 |
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5a26b927bc
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import colvars code with multi-thread support
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2016-04-08 09:30:28 -04:00 |
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008896a77d
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14808 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-04-07 21:10:37 +00:00 |
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67a4004f23
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14807 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-04-07 21:05:19 +00:00 |
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7910ec3297
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update from trung with bugfixes for tersoff/sw and new tersoff/mod/gpu and tersoff/zbl/gpu
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2016-03-28 06:47:38 -04:00 |
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0528cde331
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14783 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-03-22 14:29:41 +00:00 |
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acc29ff266
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14778 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-03-22 13:44:55 +00:00 |
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361ed36bed
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14775 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-03-22 13:43:01 +00:00 |
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79c065d992
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added info to the README
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2016-03-22 11:09:15 +00:00 |
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101d7664c8
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add proper dependencies for POEMS library
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2016-03-21 23:40:51 -04:00 |
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83416c3a6d
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fix incorrct use of array delete.
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2016-03-21 22:31:04 -04:00 |
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cfbbfe6fdd
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initialize structs with memset()
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2016-03-21 22:17:41 -04:00 |
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edb3f9559c
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14758 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-03-21 16:10:48 +00:00 |
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11f1ab658f
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improve test for numeric conversion, so it compiled with gcc 5.3
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2016-03-21 06:44:05 -04:00 |
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ad3c57cb63
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14746 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-03-14 18:45:25 +00:00 |
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