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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