0f6a34775c
Merge branch 'master' into symbolic-atom-constants
2020-09-15 17:44:31 -04:00
f1ef7d85a8
T2345: Replace instances of NULL with nullptr
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The following changes have been applied to src and lib folders:
regex replace: ([^"_])NULL ⇒ \1nullptr (8968 chgs in src, 1153 in lib)
Manually find/change: (void \*) nullptr ⇒ nullptr (1 case)
regex find: ".*?nullptr.*?"
Manually ~14 cases back to "NULL" in src, ~2 in lib
regex finds a few false positive where nullptr appears between two
strings in a function call
2020-09-12 09:34:38 -06:00
9d0c3bc665
replace some numeric constants in Atom and AtomVec classes with enumerators
2020-09-11 19:07:55 -04:00
6113169a47
IWYU based include statement cleanup
2020-09-02 17:39:34 -04:00
96d8d12a88
replace calls to force->*numeric() with the corresponding utils::*numeric()
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this also removes the now obsolete functions from Force
2020-08-29 20:31:02 -04:00
229203bac0
Supported neighbor list builds for triclinic boxes on the GPU
2020-05-06 08:51:17 -05:00
2d71d9d47b
add citation for GPU accelerated TIP4P style
2020-01-08 16:15:18 -05:00
5b3a15bd94
putting implementation header first in package folder sources
2019-07-03 19:58:25 -04:00
601746b565
restore lost changes to fix gpu from upstream
2019-05-18 13:09:25 -04:00
c55009a0ac
Enabled neighbor list build on the device with pair_style hybrid and hybrid/overlay
2019-04-16 23:30:25 -05:00
34d4209197
Merge pull request #1331 from akohlmey/collected-small-changes
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Collected small changes
2019-02-13 16:47:27 +01:00
24ff914e5a
silence compiler warnings about unused parameters in the GPU package
2019-02-13 07:42:24 -05:00
a0699027f7
fix typo
2019-02-01 12:23:06 +01:00
bb36e6e3c8
implement some examples for using the utils::strmatch() function and use it for inexact Force::pair_match()
2019-02-01 12:23:06 +01:00
e4071d7f46
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
3e9b41c6b7
Added references to GPU package citations
2017-08-09 10:09:40 -05:00
04e401ae4b
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15080 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-05-31 16:20:32 +00:00
354e20f431
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 20:04:06 +00:00
ce59e32d1c
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13937 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-08-28 20:00:56 +00:00
c85a42ab6d
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13905 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-08-19 15:11:20 +00:00
711e9ea3a1
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2014-10-29 15:48:20 +00:00
39373a22c3
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2014-09-18 14:24:18 +00:00
fb2b228ac9
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2014-09-11 15:43:36 +00:00
90d0ffba1d
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2014-09-10 22:46:53 +00:00
58a11d6bc2
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2014-09-10 19:39:31 +00:00
fbad8a44c8
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2014-09-10 17:30:53 +00:00
f864979cdd
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2014-09-09 22:52:01 +00:00
b57945c40e
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2014-09-09 21:15:33 +00:00
b843c808a5
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2014-09-09 19:23:31 +00:00
1ce84626f2
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2014-03-20 15:00:59 +00:00
89a4708824
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2014-01-29 22:22:56 +00:00
dc585528b2
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2014-01-25 23:52:50 +00:00
0ce16af78b
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2014-01-25 22:46:08 +00:00
0f89823d78
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2014-01-17 22:03:37 +00:00
cb1ad361fb
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2014-01-17 21:17:42 +00:00
6ad1c9618b
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2013-08-23 14:47:08 +00:00
afef1c8814
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2013-08-06 17:30:53 +00:00
c612b724df
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2013-07-30 20:40:02 +00:00
6fc75ee1da
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2013-07-26 14:59:50 +00:00
b0007d45b7
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2013-06-29 21:27:42 +00:00
2dbe3f80a2
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2013-06-27 20:02:55 +00:00
f1effd1c0d
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2012-08-21 13:53:49 +00:00
ef9e700545
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2012-06-06 22:47:51 +00:00
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2012-02-01 16:27:41 +00:00
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2011-12-02 15:55:55 +00:00
c6bbdcfbf2
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2011-10-24 20:28:02 +00:00
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2011-09-23 18:06:55 +00:00
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2011-08-17 14:30:14 +00:00
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2011-06-13 15:17:44 +00:00
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2011-06-08 20:26:11 +00:00
