OEMolFunc0ΒΆ
Attention
This API is currently available in C++ and Python.
class OEMolFunc0 : public OEOpt::OEFunc0, public OEMolFunc
The OEMolFunc0
is an abstract base class. This
class defines the interface for stateful functions which operate on
molecules and conformers, compute a function value, but have no defined
analytical gradients. OEMolFunc0
combines OEFunc0
with OEMolFunc
interface. Classes derived from OEMolFunc0
are
intended for use with optimizers which do not require gradients.
