1e3f1c584c
simplify by using utils::strdup() fmt::format() and reorder includes
2021-03-29 08:12:37 -04:00
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
...
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()
...
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
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
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
5b842f0010
Teff and exchange bugfix, as per Greg Dignon to match python examples
2017-03-20 09:15:48 -04:00
5ff5bc2a6c
avoid issues detected by coverity scan
2016-11-28 21:34:35 -05:00
b95f255af4
small changes to temper/grem commands
2016-11-22 08:47:44 -07:00
7893215964
small comment/whitespace tweak
2016-11-21 12:46:43 -05:00
19ac9d2959
turned off dev mode by default in temper_grem
2016-11-17 09:31:07 -05:00
07e46b797a
added internal tempering in grem with example
2016-11-16 20:27:14 -05:00
