BALL  1.4.2
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Namespaces | Functions
atomicContactEnergy.h File Reference
#include <BALL/common.h>

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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")
 
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