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sc::TaylorMolecularEnergy(3)         MPQC         sc::TaylorMolecularEnergy(3)

NAME

sc::TaylorMolecularEnergy -

SYNOPSIS

Inherits sc::MolecularEnergy. Public Member Functions TaylorMolecularEnergy (const Ref< KeyVal > &) TaylorMolecularEnergy (StateIn &) 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. void print (std::ostream &=ExEnv::out0()) const Print information about the object. void compute () Recompute at least the results that have compute true and are not already computed. int value_implemented () const Information about the availability of values, gradients, and hessians. int gradient_implemented () const int hessian_implemented () const Additional Inherited Members Member Function Documentation void sc::TaylorMolecularEnergy::compute () [virtual] Recompute at least the results that have compute true and are not already computed. This should only be called by Result's members. Implements sc::Compute. void sc::TaylorMolecularEnergy::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::MolecularEnergy. int sc::TaylorMolecularEnergy::value_implemented () const [virtual] Information about the availability of values, gradients, and hessians. Reimplemented from sc::Function. Author Generated automatically by Doxygen for MPQC from the source code. Version 2.3.1 Fri Feb 19 2016 sc::TaylorMolecularEnergy(3)

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