molden

Indication

Disponible sur https://www.theochem.ru.nl/molden/

Molden is a package for displaying Molecular Density from the Ab Initio packages GAMESS-UK , GAMESS-US and GAUSSIAN and the Semi-Empirical packages Mopac/Ampac, it also supports a number of other programs via the Molden Format. Molden reads all the required information from the GAMESS / GAUSSIAN outputfile. Molden is capable of displaying Molecular Orbitals, the electron density and the Molecular minus Atomic density. Either the spherically averaged atomic density or the oriented ground state atomic density can be subtracted for a number of standard basis sets.

• Version installée le 08/06/2023 : Molden 6.9

• Configuration utilisateur :

L’exécutable se trouve dans /usr/local/bin, répertoire situé par défaut dans le $PATH. Il n’y a donc rien à configurer pour utiliser molden.