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b34dac41c2
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port documentation spelling fixes to comments or strings in source code.
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2018-11-19 16:15:24 -05:00 |
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2f52eee6bf
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kspace refactor compiles for KSPACE and USER-OMP
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2018-10-19 15:11:37 -04:00 |
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e4071d7f46
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replace C-style include files with their C++ equivalents
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2018-04-27 18:00:24 -04:00 |
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59dbb49cf9
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remove trailing whitespace
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2018-03-16 12:37:27 -04:00 |
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91993b236d
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avoid division by zero in PPPM for empty and uncharged systems. require kspace_modify gewald
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2018-01-05 19:52:51 -05:00 |
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5ecc3ce366
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avoid division by zero when trying to run PPPM on a system without atoms
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2018-01-04 20:44:40 -05:00 |
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c24fca61f3
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fix possible uninitialized data access with pppm and pppm/disp
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2017-07-12 18:14:11 -04:00 |
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73b948dcfc
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pppm must be fully reinitialized after switching to triclinic box to avoid memory corruption
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2017-06-23 10:01:45 -04:00 |
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4b8d2e829c
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triclinic member variable is referenced in destructor and thus must be initialized in constructor
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2017-05-30 07:41:01 -04:00 |
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28bdebd3c0
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avoid segfault when calling PPPM*::memory_usage() before grid communication is initialized
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2017-03-28 07:50:48 -04:00 |
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554531a302
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update permissions
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2017-03-20 13:51:36 -04:00 |
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c31f1e9f22
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add fix mscg command, example, lib
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2017-01-09 13:36:40 -07:00 |
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142770cb2a
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enable pppm/tip4p to work with triclinic
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2017-01-06 10:38:32 -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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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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876b033ea8
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2016-05-31 16:33:07 +00:00 |
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0939eb1ee9
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2015-12-15 22:30:45 +00:00 |
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354e20f431
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2015-10-30 20:04:06 +00:00 |
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2f55b6da36
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2015-08-19 14:55:57 +00:00 |
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6106843d57
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2015-05-15 16:51:23 +00:00 |
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84a5ec39ec
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2015-03-23 23:30:50 +00:00 |
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4e8c2824e3
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2015-02-19 23:38:45 +00:00 |
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1eb5be1591
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2015-01-19 22:14:11 +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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f350cc4ec7
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2014-10-20 21:17:46 +00:00 |
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166a9c5bc7
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2014-10-07 23:03:23 +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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2014-08-25 16:01:17 +00:00 |
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c1e12f9508
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2014-08-08 17:55:44 +00:00 |
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9026afed5c
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2014-08-08 14:25:15 +00:00 |
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3f3446e8dd
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2014-08-07 14:23:14 +00:00 |
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65a76deb45
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2014-07-28 20:13:44 +00:00 |
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6c06a66ae7
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2014-05-13 15:23:13 +00:00 |
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c0fbdbefaa
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2014-04-09 16:50:23 +00:00 |
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7b291636cf
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2014-03-14 22:28:09 +00:00 |
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2bcf10827c
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2014-03-06 15:28:27 +00:00 |
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f1e2227ed1
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2014-03-04 16:45:44 +00:00 |
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0bf07f466d
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2013-08-23 14:29:56 +00:00 |
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9af873dddb
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2013-08-19 19:25:37 +00:00 |
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5b00a238c3
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2013-07-30 21:52:44 +00:00 |
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481bcc774b
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2013-07-23 15:01:19 +00:00 |
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2135141fe9
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2013-07-22 23:02:25 +00:00 |
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ce91adefc1
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2013-06-29 21:20:54 +00:00 |
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f37ae6cb74
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2013-06-28 19:06:37 +00:00 |
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df08f3e483
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2013-06-27 23:54:17 +00:00 |
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83f360b90b
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2013-06-27 23:53:09 +00:00 |
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c0acc33584
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2013-06-27 23:51:59 +00:00 |
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440d389779
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2013-06-27 23:50:33 +00:00 |
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7f18289ee3
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2013-06-04 14:55:56 +00:00 |
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a6e871f0a5
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2013-06-04 14:41:29 +00:00 |
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