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7de4655e69
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simplify output in KSPACE package
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2020-06-29 08:17:27 -04:00 |
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bb024bc077
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add call to KSpace::two_charge() that was overlooked
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2020-01-22 14:46:57 -05:00 |
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9e7ca428aa
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whitespace cleanup: remove (evil) tabs
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2019-11-03 11:01:42 -05:00 |
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4fca2f1f1d
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fix "implicit fallthrough" warnings
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2019-10-14 16:41:12 +02:00 |
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61ed3b65b7
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clean up includes in KSPACE package
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2019-07-06 10:20:13 -04:00 |
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5b3a15bd94
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putting implementation header first in package folder sources
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2019-07-03 19:58:25 -04:00 |
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985fc86aa3
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use ev_init for kspace
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2019-03-13 17:55:30 +01:00 |
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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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9090fd0255
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propagate the kspace change to a the first few kspace styles
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2018-10-18 16:31:17 -04:00 |
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5daf1fe0d4
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remove deprecated 'register' keyword. closes #922
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2018-05-18 17:43:18 -04:00 |
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6226ec8831
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import enum{GEOMETRIC,ARITHMETIC,SIXTHPOWER} from pair.h
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2018-05-10 01:32:57 -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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6c058fb56c
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avoid division by zero in ewald for empty and uncharged systems. require kspace_modify gewald
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2018-01-05 20:14:25 -05:00 |
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197ce4580b
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avoid division by zero also for ewald/disp
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2017-04-21 17:27:08 -04:00 |
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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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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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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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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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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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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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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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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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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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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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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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1fac1d41fa
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11789 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-04-15 15:24:27 +00:00 |
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2bcf10827c
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11588 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-03-06 15:28:27 +00:00 |
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f1e2227ed1
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11584 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-03-04 16:45:44 +00:00 |
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91bdb7f690
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11367 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-01-29 00:37:56 +00:00 |
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b9f7190578
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11364 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-01-29 00:35:51 +00:00 |
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9af873dddb
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10599 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-08-19 19:25:37 +00:00 |
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f37ae6cb74
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10161 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-06-28 19:06:37 +00:00 |
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af5a33fd16
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10031 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-06-06 14:52:51 +00:00 |
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07b41bfb6e
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9848 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-05-08 21:12:15 +00:00 |
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1cdaba9662
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9619 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-03-07 22:06:44 +00:00 |
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a5c6bfb1c5
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9566 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-03-04 23:09:29 +00:00 |
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79410e394f
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9509 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-02-15 17:32:15 +00:00 |
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0beb95626f
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9401 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-02-08 16:55:28 +00:00 |
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1adc4fee98
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8869 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-10-02 20:23:22 +00:00 |
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9f8c6721d0
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8866 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-10-02 20:11:55 +00:00 |
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4ee654c18e
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8856 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-10-02 16:54:57 +00:00 |
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