MPQC
2.3.1
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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_ |
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.