every class that can evaluate Energy (e.g. Wavefunction) will publicly inherit from Energy::Provider
- See also
- Provides
◆ can_evaluate()
| virtual bool mpqc::Energy::Provider::can_evaluate |
( |
Energy * |
energy | ) |
|
|
pure virtual |
- Returns
true if energy can be computed. For example, if energy demands Taylor expansion to 1st order but this cannot provide analytic 1st derivatives of energy (i.e., forces), will return false .
◆ evaluate()
| virtual void mpqc::Energy::Provider::evaluate |
( |
Energy * |
energy | ) |
|
|
pure virtual |
Provider::evaluate computes the Taylor expansion of the energy and uses Energy::set_value to assign the values to energy
The documentation for this class was generated from the following file:
Static Protected Member Functions inherited from mpqc::math::FunctionVisitorBase< function_base_type >