APOST3D

Open-source APOST-3D software features a large number of wavefunction analysis tools developed over the past 20 years, aiming at connecting classical chemical concepts with the electronic structure of molecules. APOST-3D relies on the identification of the atom in the molecule (AIM), and several analysis tools are implemented in the most general way so that they can be used in combination with any chosen AIM. A Fortran-based code developed at the Universitat de Girona (UdG) by P. Salvador and collaborators.

homepage: https://github.com/mgimferrer/APOST3D

version	toolchain
20240527	intel-compilers/2023.1.0

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