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Open-source cheminformatics and machine learning.
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ForceFields Namespace Reference

Namespaces

namespace  CrystalFF
 
namespace  MMFF
 
namespace  UFF
 

Classes

class  ForceField
 A class to store forcefields and handle minimization. More...
 
class  ForceFieldContrib
 abstract base class for contributions to ForceFields More...
 

Typedefs

typedef std::vector< int > INT_VECT
 
typedef boost::shared_ptr< const ForceFieldContribContribPtr
 
typedef std::vector< ContribPtrContribPtrVect
 

Typedef Documentation

◆ ContribPtr

typedef boost::shared_ptr<const ForceFieldContrib> ForceFields::ContribPtr

Definition at line 44 of file ForceField.h.

◆ ContribPtrVect

Definition at line 45 of file ForceField.h.

◆ INT_VECT

typedef std::vector<int> ForceFields::INT_VECT

Definition at line 43 of file ForceField.h.