sc_MolecularHessian(3) on Linux
The text e95d442aff79, as Debian 5.0 (Lenny) 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 e95d442aff79, as Debian 5.0 (Lenny) 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.