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Home -> Computer programs -> GDMA

GDMA

GDMA is a Fortran 90 program for performing Distributed Multipole Analysis of wavefunctions calculated using the Gaussian program system. That is, it calculates electric multipole moments at the atomic positions, or at other specified sites, that can give a very accurate representation of the electrostatic field of the molecule. It uses the formatted checkpoint file produced by the Gaussian program. Version 2.2 handles files from Gaussian94, Gaussian98 and Gaussian03. It is also possible to use GDMA with the Dalton program as part of the CamCASP package.

Documentation

Instructions for downloading and installation.

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