element.h File Reference

#include <string>
#include <vector>
#include <occ/core/linear_algebra.h>

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Classes
class	occ::core::Element
	Utility class representing and holding data for a chemical element. More...

Namespaces
namespace	occ
namespace	occ::core
	fundamental functionality for linear algebra, utilities, molecules and more

Macros
#define	ELEMENT_MAX   103

Functions
std::string	occ::core::chemical_formula (const std::vector< Element > &elements)
	The chemical formula of a given std::vector of Elements e.g.
double	occ::core::total_atomic_mass (const IVec &atomic_numbers)
	Calculate the total atomic mass of a collection of atoms.

Macro Definition Documentation

ELEMENT_MAX

#define ELEMENT_MAX   103