Psi4
atom_data.h
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28 
34 #ifndef _element_to_Z_h_
35 #define _element_to_Z_h_
36 
37 #include <iostream>
38 #include <string>
39 #include <map>
40 
41 namespace opt {
42 
43 // atomic number to the atomic symbol
44 extern const char *Z_to_symbol[];
45 
46 // atomic number to default mass
47 extern const double Z_to_mass[];
48 
49 // convert symbol or name to atomic number
50 extern double Element_to_Z(std::string lbl);
51 
52 // convert isotope name to mass
53 //extern double Isotope_to_mass(std::string lbl);
54 
55 }
56 
57 #endif
const double Z_to_mass[]
Definition: atom_data.cc:57
const char * Z_to_symbol[]
Definition: atom_data.cc:45
double Element_to_Z(std::string lbl)
Definition: atom_data.cc:199