6b2a98b537
ad few more manual updates of outdated, mistyped or no longer available URLs
2020-10-21 17:19:33 -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
2d802411e9
remove pointless stringstream abuse
2020-09-04 08:03:53 -04:00
91a87b745f
final second round IWYU cleanup
2020-09-04 08:01:11 -04:00
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
0abbc59006
multiple changes to integrate into LAMMPS more smoothly
...
- indentation at 2 blanks
- use BIGINT_FORMAT consistently
- use MathSpecial::square() instead of pow(x,2)
2019-09-23 12:11:34 -04:00
03de73f66f
rename "ballistico" keyword to "eskm" to match dynamical_matrix
2019-09-23 11:54:26 -04:00
74d6e52808
Fixed compilation issues
2019-09-20 15:51:05 -07:00
cf1c31cd3d
Added third order, added documentation, took out extraneous lines, added documentation figures.
2019-09-20 14:42:04 -07:00
