There was a logic error in the outside() function used by fix pour.
The previous implementation was essentially doing this:
outside = outside_pbc_range || outside_regular_range
It should have been:
outside = outside_pbc_range && outside_regular_range
New documnetation is added and the whole document is checked
and partly rewritten for clarity and errors are corrected
Adding the word "Zm" to prevent the spelling error in document
building check.
Adding the 'list' setting of {formatarg} (default behavior or if
{formatarg} is not specified), the result is returned as a
space-separated list of values in {variable}.
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.
1. Add new capabilities within LAMMPS for setting parameters of
the KIM portable models (PM). The current implementation extends
the 'pair_coeff' command to modify the PM parameters.
A series of additional parameters after the species list is the
input to the modified command. Each set of the other setting
is parameter name, range of array indices, and corresponding
parameter values.
2. Add two getters to the PairKIM class to get the KIM_Model object,
and the atom type list outside the 'pair_kim' command for ease of
use and extension ability of a new 'kim_param' command.
