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sc::HessianUpdate(3) MPQC sc::HessianUpdate(3) NAME sc::HessianUpdate - The HessianUpdate abstract class is used to specify a hessian update scheme. SYNOPSIS #include <update.h> Inherits sc::SavableState. Inherited by sc::DFPUpdate, and sc::PowellUpdate. Public Member Functions HessianUpdate (StateIn &) HessianUpdate (const Ref< KeyVal > &) 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. virtual void update (const RefSymmSCMatrix &hessian, const Ref< Function > &, const RefSCVector &xnew, const RefSCVector &gnew)=0 virtual void set_inverse () virtual void apply_transform (const Ref< NonlinearTransform > &) Protected Attributes int inverse_hessian_ Additional Inherited Members Detailed Description The HessianUpdate abstract class is used to specify a hessian update scheme. It is used, for example, by QNewtonOpt objects. Based on the value of inverse_hessian_ x and g may be reversed (see Schlegel, Ab initio Methods in Quantum Chemistry I, 1987, p 10). Member Function Documentation void sc::HessianUpdate::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::SavableState. Reimplemented in sc::PowellUpdate, sc::BFGSUpdate, and sc::DFPUpdate. Author Generated automatically by Doxygen for MPQC from the source code. Version 2.3.1 Sun Feb 28 2021 sc::HessianUpdate(3)
NAME | SYNOPSIS | Detailed Description | Member Function Documentation | Author
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