sc_MolecularHessian(3) on Linux
The text 6cc662c7fe93, as Debian 4.0 (Etch) shipped it.
MolecularHessian is an abstract class that computes a molecule's second derivatives of the energy with respect to changes in the nuclear coordinates.
The text 6cc662c7fe93, as Debian 4.0 (Etch) shipped it.
MolecularHessian is an abstract class that computes a molecule's second derivatives of the energy with respect to changes in the nuclear coordinates.