chemical Namespace Reference

Functions
BooleanOptionKey const	chemical ("chemical")
StringVectorOptionKey const	exclude_patches ("chemical:exclude_patches")
StringVectorOptionKey const	include_patches ("chemical:include_patches")
BooleanOptionKey const	enlarge_H_lj ("chemical:enlarge_H_lj")
StringVectorOptionKey const	add_atom_type_set_parameters ("chemical:add_atom_type_set_parameters")
StringVectorOptionKey const	set_atom_properties ("chemical:set_atom_properties")

Function Documentation

StringVectorOptionKey const chemical::add_atom_type_set_parameters

(

"chemical:add_atom_type_set_parameters"

)

BooleanOptionKey const chemical::chemical

(

"chemical"

)

BooleanOptionKey const chemical::enlarge_H_lj

(

"chemical:enlarge_H_lj"

)

StringVectorOptionKey const chemical::exclude_patches

(

"chemical:exclude_patches"

)

StringVectorOptionKey const chemical::include_patches

(

"chemical:include_patches"

)

StringVectorOptionKey const chemical::set_atom_properties

(

"chemical:set_atom_properties"

)