sc_MolecularHessian(3) on Linux
The text a17f11e293d6, as Debian 11 (Bullseye) 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 a17f11e293d6, as Debian 11 (Bullseye) 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.