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
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
fcd0b9f78f
move Force::bounds() and Force::boundsbig() to utils.
2020-08-29 18:23:03 -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
4ec05a3389
remove some more trailing whitespace
2018-12-01 08:14:02 -05:00
688945a0ef
silence compiler warnings about initialization order and unused args
2018-10-31 00:34:58 -04:00
079134255d
make sure class member "list" is initialized to NULL in constructor
2018-10-29 03:49:25 -04:00
76a2a9ab0a
Fixed normalization error for ordinate degree
2018-10-20 17:16:47 -06:00
8223f5e0a3
Eliminated another initialization error and tweaked rdf-adf example
2018-10-20 16:46:45 -06:00
8aecefe233
fix uninitialized data bug in compute adf
2018-10-20 08:12:19 -04:00
04a4a29fcf
Creatd new compute ADF for angular distribution function
2018-10-19 18:36:11 -06:00
