12406b90a1
more iwyu header updates
2021-09-18 21:24:01 -04:00
09c19a936b
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
d1941392d3
disable clang-format for all existing .cpp files (for now)
2021-05-05 23:53:38 -04:00
adf74b3a22
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
0f6a34775c
Merge branch 'master' into symbolic-atom-constants
2020-09-15 17:44:31 -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
9d0c3bc665
replace some numeric constants in Atom and AtomVec classes with enumerators
2020-09-11 19:07:55 -04:00
4f0e9e2d26
some cleanup and consistency improvements in MESSAGE package code and docs
2020-03-12 06:51:06 -04:00
416911aa7e
more rearranging of include file order to put implementation headers first
2019-07-03 21:57:39 -04:00
40f1662c93
reduce compiler warnings
2019-04-02 23:44:00 -04:00
1c795a6be3
remove trailing blanks
2018-12-01 21:38:22 -05:00
bc62002b1c
units and doc changes
2018-08-31 16:05:24 -06:00
83d453e78b
updates to MD protocol and examples
2018-08-28 17:08:52 -06:00
c477129165
real <-> metal unit conversion factors
2018-08-24 16:17:07 -06:00
d8b087aeb4
docs for MD protocol enhancements
2018-08-24 11:11:34 -06:00
735ec9de0b
more general MD c/s protocol
2018-08-24 10:53:05 -06:00
8930a88e99
enrich the AIMD interface
2018-08-22 15:12:52 -06:00
ab1cc706cc
change syntax of standard C include files
2018-07-24 11:55:56 -06:00
2f55981224
new MESSAGE package for client/server/coupling
2018-07-23 15:58:33 -06:00
