A stub to hold various parameters of interactions. More...

#include <atomdata.h>

Public Member Functions
bool	contains (const key_type &name) const

double	at (const key_type &name) const

double &	at (const key_type &name)

void	insert_or_assign (const key_type &name, double value)

Friends
void	to_json (json &, const InteractionData &)

Detailed Description

A stub to hold various parameters of interactions.

The class serves as a container for parameters of MixerPairPotentialBase. Currently only raw numbers without units are stored. In the future, it is supposed to keep a track which parameters are needed by potentials employed, as well as to convert units when initialized from JSON.

The documentation for this class was generated from the following files:

src/atomdata.h
src/atomdata.cpp

Public Member Functions

Friends

Detailed Description