chemical_data Struct Reference

#include <global.h>

Data Fields
double **	chem_prop
int *	nsps
int *	formula
char **	label
char **	element
double **	cutoffs
double	grtotcutoff

Detailed Description

Definition at line 850 of file global.h.

Field Documentation

chem_prop

double** chem_prop

chemical properties:
0 = Z,
1 = Mass,
2 = Radius,
3 = Neutrons,
4 = X-rays

Definition at line 853 of file global.h.

cutoffs

double** cutoffs

partial cutoff(s)

Definition at line 863 of file global.h.

element

char** element

Element name(s)

Definition at line 862 of file global.h.

formula

int* formula

Chemical formula

Definition at line 860 of file global.h.

grtotcutoff

double grtotcutoff

Total cutoff

Definition at line 864 of file global.h.

label

char** label

Element label(s)

Definition at line 861 of file global.h.

nsps

int* nsps

Number of atom(s) by chemical species

Definition at line 859 of file global.h.

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

• global.h