atomicContactEnergy.h File Reference

#include <BALL/common.h>

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Namespaces
	BALL
	-*- Mode: C++; tab-width: 2; -*-

Functions
BALL_EXPORT double	BALL::calculateACE (const AtomContainer &atom_container, const string &type_filename="energy/ACE_types.dat", const string &parameter_filename="energy/ACE_parameters.dat")