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
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Version 2.3.1 Fri Feb 19 2016 sc::NewP86CFunctional(3)
