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| sc::NewP86CFunctional(3) | MPQC | sc::NewP86CFunctional(3) |
NAME
sc::NewP86CFunctionalSYNOPSIS
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
int sc::NewP86CFunctional::need_density_gradient () [virtual]
Reimplemented from sc::DenFunctional.void sc::NewP86CFunctional::point (const PointInputData &, PointOutputData &) [virtual]
Implements sc::DenFunctional.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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