sc_NewP86CFunctional man page

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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Info

Fri Aug 4 2017 Version 2.3.1 MPQC