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sc::NewP86CFunctional(3)             MPQC             sc::NewP86CFunctional(3)

NAME

sc::NewP86CFunctional -

SYNOPSIS

Inherits sc::DenFunctional. Public Member Functions NewP86CFunctional (const Ref< KeyVal > &) NewP86CFunctional (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. int need_density_gradient () void point (const PointInputData &, PointOutputData &) Protected Member Functions void init_constants () double rho_deriv (double rho_a, double rho_b, double mdr) double gab_deriv (double rho_a, double rho_b, double mdr) Protected Attributes double a_ double C1_ double C2_ double C3_ double C4_ double C5_ double C6_ double C7_ Additional Inherited Members Member Function Documentation void sc::NewP86CFunctional::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::DenFunctional. Author Generated automatically by Doxygen for MPQC from the source code. Version 2.3.1 Fri Feb 19 2016 sc::NewP86CFunctional(3)

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