One of the motivations of having dedicated and automated CLI commands to install established pseudpotential families like the SSSP or the Pseudo-dojo normconserving pseudopotentials is to try and prevent that the pseudopotentials or recommended cutoffs deviate from the official ones. However, the family cutoffs set command currently allows the user to change the recommended cutoffs easily through the CLI.
In order to prevent this, we block usage of the command for SsspFamily and PseudoDojoFamily's, by adding an exclude input argument to the PseudoPotentialFamilyParam, where the entry points of the classes that should be disallowed can be provided. This is then used to adapt the option decorator for the PSEUDO_POTENTIAL_FAMILY input argument of family cutoffs set.
Note that the user can still install e.g. the SSSP with their own recommended cutoffs using the install family command as a CutoffsPseudoPotentialFamily. However, the SsspFamily class is reserved for pseudopotentials installed with the automated install command.
One of the motivations of having dedicated and automated CLI commands to install established pseudpotential families like the SSSP or the Pseudo-dojo normconserving pseudopotentials is to try and prevent that the pseudopotentials or recommended cutoffs deviate from the official ones. However, the
family cutoffs set
command currently allows the user to change the recommended cutoffs easily through the CLI.In order to prevent this, we block usage of the command for
SsspFamily
andPseudoDojoFamily
's, by adding anexclude
input argument to thePseudoPotentialFamilyParam
, where the entry points of the classes that should be disallowed can be provided. This is then used to adapt the option decorator for thePSEUDO_POTENTIAL_FAMILY
input argument offamily cutoffs set
.Note that the user can still install e.g. the SSSP with their own recommended cutoffs using the
install family
command as aCutoffsPseudoPotentialFamily
. However, theSsspFamily
class is reserved for pseudopotentials installed with the automated install command.