| sc::TaylorMolecularEnergy(3) | MPQC | sc::TaylorMolecularEnergy(3) |
sc::TaylorMolecularEnergy
Inherits sc::MolecularEnergy.
TaylorMolecularEnergy (const Ref< KeyVal
> &)
TaylorMolecularEnergy (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. void print
(std::ostream &=ExEnv::out0()) const
Print information about the object. void compute ()
Recompute at least the results that have compute true and are not already
computed. int value_implemented () const
Information about the availability of values, gradients, and hessians. int
gradient_implemented () const
int hessian_implemented () const
Recompute at least the results that have compute true and are not already computed. This should only be called by Result's members.
Implements sc::Compute.
Reimplemented from sc::Function.
Reimplemented from sc::MolecularEnergy.
Print information about the object.
Reimplemented from sc::MolecularEnergy.
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::MolecularEnergy.
Information about the availability of values, gradients, and hessians.
Reimplemented from sc::Function.
Generated automatically by Doxygen for MPQC from the source code.
| Fri Dec 2 2022 | Version 2.3.1 |