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
88ddfa4eb0
more IWYU cleanup in packages
2020-09-03 05:20:02 -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
f1ad4ed66b
update the internal timeout clock across replica when we stop parallel tempering
2020-02-23 05:09:25 -05:00
c3fc680ccd
apply timeout bugfix to temper variants in USER-MISC
2020-02-23 05:04:21 -05:00
207976f4e9
avoid abort when timeout appears in temper commands
2019-08-01 06:11:05 -04:00
58404946db
add timer timeout support to temper commands
2019-07-31 23:26:13 -04:00
4011f6650d
first step of adding timeout support to temper commands
2019-07-31 05:05:17 -04:00
0fa9cd5004
use utils::strmatch to simplify checks for compatible thermostat/barostat fixes
2019-07-31 05:03:59 -04:00
956d21ec0e
update include lists in packages USER-MISC, USER-MOFF, USER-PTM, and USER-SMD
2019-07-10 15:51:57 -04:00
e4071d7f46
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
ee862d8bf5
replace leading tabs
2018-03-16 12:34:33 -04:00
cf3887c5e0
default arguments on polymorph/pure methods can lead to unexpected overloading in derived classes
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argument for Integrate::setup() made explicit
2018-02-22 07:53:58 -05:00
b49806d36a
correct the logic for checking if fix is right
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previously had incorrect logic for checking if fix is acceptable
2018-02-07 16:35:49 -05:00
eba4be18c2
adapt formatting and naming conventions to fully match LAMMPS style. allow rigid and accelerated integrators.
2017-08-31 14:48:30 -04:00
d0efd3a422
Add files via upload
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Updated command to temper/npt instead of temper_npt
2017-08-28 14:48:00 -04:00
