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

sc::NewP86CFunctional

Inherits sc::DenFunctional.


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 &)
 


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)
 


double a_
 
double C1_
 
double C2_
 
double C3_
 
double C4_
 
double C5_
 
double C6_
 
double C7_
 

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.

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Tue Jan 1 2019 Version 2.3.1

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