GDMA

The GDMA program carries out Distributed Multipole Analysis of wavefunctions calculated by the Gaussian system of programs or the Psi4 package, using the formatted checkpoint files that they can produce. The result is a set of multipole moments at sites defined by the user (usually at the positions of the atomic nuclei) which, given an accurate wavefunction, provide an accurate description of the electrostatic field of the molecule.

More Information

For more information visit the GDMA website.

Available Versions

These versions of GDMA are available on the BEAR systems (BlueBEAR and BEAR Cloud VMs). These will be retained in accordance with our Applications Support and Retention Policy.