PseudoAtomDefinitions Struct Reference

Collaboration diagram for PseudoAtomDefinitions:

Public Member Functions
size_t	MatchSymbolTypeFromSymbolName (std::string &SymbolName)
size_t	GetSymbolIdxFromPseudoAtomTypeIdx (size_t Type)

Public Attributes
std::vector< std::string >	Name
std::vector< std::string >	Symbol
std::vector< size_t >	SymbolIndex
std::vector< double >	oxidation
std::vector< double >	mass
std::vector< double >	charge
std::vector< double >	polar

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The documentation for this struct was generated from the following file:

• src_clean/data_struct.h