atomicContactEnergy.h File Reference

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Namespaces

namespace  BALL

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")

Generated on Tue Dec 7 19:12:36 2010 for BALL by  doxygen 1.5.9