Public Member Functions¶

PsiCCSD_T (const Ref< KeyVal > &)
PsiCCSD_T (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 spin_polarized ()
Return 1 if the alpha density is not equal to the beta density. int gradient_implemented () const

Protected Member Functions¶

void write_input (int conv)
Prepares a complete Psi input file. The input file is assumed to have been opened.

Additional Inherited Members¶

void sc::PsiCCSD_T::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::PsiWavefunction.