95e2214d96
more typecasts to double to avoid 32-bit int overflows when computing memory usage
2021-02-04 14:35:38 -05:00
e2e6639013
add typecast to avoid (unlikely but possible) integer overflows.
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this will silence a lot of static code analysis warnings
2021-02-02 17:27:04 -05:00
382ade15fe
more consistent formatting of for/while loops and if statements
2020-12-30 09:09:08 -05:00
adf74b3a22
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -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
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
a766b6a901
make sure numbers for atoms outside the compute group are zero
2020-06-23 10:24:47 -04:00
7967cb1133
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
378474c4e6
more include file cleanup suggested by IWYU
2019-06-28 02:07:18 -04:00
e9bc939098
Fix more unused parameter warnings ( #1076 )
2018-08-23 12:22:44 -06:00
e4071d7f46
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
59dbb49cf9
remove trailing whitespace
2018-03-16 12:37:27 -04:00
ee862d8bf5
replace leading tabs
2018-03-16 12:34:33 -04:00
e55c90cc44
Moved rerun bug fix to individual affected styles
2017-11-14 14:01:07 -05:00
ba0ddea5e1
Using correct ndegree instead of nnn
2017-05-28 15:44:12 -07:00
2993aec312
sync with Git
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15519 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-08-29 22:52:03 +00:00
876b033ea8
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15083 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-05-31 16:33:07 +00:00
c28bd3c3ff
Updated compute hexorder/atom, added compute orientorder/atom
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14253 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-11-16 22:37:40 +00:00
9dc8102ac4
Updated compute hexorder/atom, added compute orientorder/atom
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14252 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-11-16 17:45:59 +00:00
70aba85d31
Updated compute hexorder/atom, added compute orientorder/atom
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14251 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-11-15 22:34:00 +00:00
a61df922c3
got rid of std:complex_literals i1
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14248 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-11-10 16:47:09 +00:00
fa9af07140
Added hexatic bond orientational order parameter
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14237 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-11-05 06:58:13 +00:00
3bc7350704
Added hexatic bond orientational order parameter
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14236 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-11-05 06:53:08 +00:00
4f71701e4e
Added hexatic bond orientational order parameter
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14234 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-11-05 01:33:46 +00:00
a91bbaf7f2
Added hexatic bond orientational order parameter
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14233 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-11-04 23:56:47 +00:00
f227080d70
Added hexatic bond orientational order parameter
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14231 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-11-04 05:18:21 +00:00
