class OEAM1BCCELF10Charges : public OEELFCharges
Charge engine input to
to assign AM1 Mulliken-type partial charges with bond-charge corrections
using the electrostatically least-interacting functional group (ELF) technique.
The input must be a 3D multi-conformer molecule with a number of atoms no larger than the default AM1BCC maximum. AM1BCC parameters must be available for each atom and bond type.
The following methods are publicly inherited from OEELFCharges:
The following methods are publicly inherited from OEChargeEngineBase:
OEAM1BCCELF10Charges(const OEAM1BCCELF10Charges &rhs)
Constructor. There are no options for this charge engine.