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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_

Reimplemented from sc::DenFunctional.

Implements sc::DenFunctional.

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.

Generated automatically by Doxygen for MPQC from the source code.
Tue Jun 7 2022 Version 2.3.1

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