SpeciesDataSt Struct Reference

species data: chosen to match the data found in the setfl/funcfl files More...

#include <CoMDTypes.h>

Data Fields
char	name [3]
	element name More...
int	atomicNo
	atomic number More...
real_t	mass
	mass in internal units More...

Detailed Description

species data: chosen to match the data found in the setfl/funcfl files

Definition at line 43 of file CoMDTypes.h.

Field Documentation

int SpeciesDataSt::atomicNo

atomic number

Definition at line 46 of file CoMDTypes.h.

real_t SpeciesDataSt::mass

mass in internal units

Definition at line 47 of file CoMDTypes.h.

char SpeciesDataSt::name[3]

element name

Definition at line 45 of file CoMDTypes.h.

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

• CoMDTypes.h