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sc::RedundMolecularCoor Class Reference The RedundMolecularCoor class provides a redundant set of simple internal coordinates. More... #include <coor.h> Inheritance diagram for sc::RedundMolecularCoor: [legend]Collaboration diagram for sc::RedundMolecularCoor: [legend]List of all members. Public Methods   RedundMolecularCoor (Ref< Molecule > &mol)   RedundMolecularCoor (StateIn &)   RedundMolecularCoor (const Ref< KeyVal > &)   The KeyVal constructor. virtual  ~RedundMolecularCoor () void  save_data_state (StateOut &)   Save the base classes (with save_data_state) and the members in the same order that the StateIn CTOR initializes them. More... void  form_coordinates (int keep_variable=0)   Actually form the variable and constant internal coordinates from the simple internal coordinates. void  guess_hessian (RefSymmSCMatrix &hessian)   Form the approximate hessian. RefSymmSCMatrix  inverse_hessian (RefSymmSCMatrix &)   Invert the hessian. Detailed Description The RedundMolecularCoor class provides a redundant set of simple internal coordinates. Member Function Documentation void sc::RedundMolecularCoor::save_data_state (  StateOut &    )  [virtual]   Save the base classes (with save_data_state) and the members in the same order that the StateIn CTOR initializes them. This must be implemented by the derived class if the class has data. Reimplemented from sc::IntMolecularCoor. The documentation for this class was generated from the following file: coor.h