Remove the dependency to 'kim init'. To get/set the parameter
values, pair style must be assigned. Must use 'kim interactions'
or 'pair_style kim' before 'kim param get/set'
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
Add an ability within LAMMPS for getting/setting KIM
portable models (PM) parameters. The assumption is that
the model is already known (through 'kim_init') when
calling the new command.
'kim_param get' gets the value of PM parameters, where
the command input includes:
parameter name, & location, or indices range, and the
variable(s) name / variable name + split / list /explicit
to return the value(s).
'kim_param get paramname index_range varname [s|split|list|explicit]'
'kim_param set' sets the value(s) of PM parameters, where
the command input includes:
parameter name, & location, or indices range, and the
corresponding variable(s) value(s).
'kim_param set paramname index_range value(s)'
NOTE: The varable_name is the name of the lammps variable in the
lammps input script and can be used in other locations in the
script.
