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.

homepage: https://gitlab.com/anthonyjs/gdma

version	toolchain
2.3.3_20230603	GCC/12.3.0

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