QTPN download | SourceForge.net

C/C++ code with GUI, supported on QT library for handling of windows and OpenGL/GLU for display of graphics. It is
capable of dealing with plotting, electronic structure calculation and multicomponent calculations. Current version reads XYZ and deMon output files. Displays image of geometry, atomic orbitals, molecular orbitals, density and Fukui functions in a few different formats. In situ SCF Hartree-Fock calculations available.

Features

GUI displayed
Capable of reading XYZ files
Procesing deMon output files: Structure, Basis, MOs and Fukui
Plots of orbitals and density
Plots of analytic Fukui functions
Hatree-Fock calculations

Project Samples

Color map of a molecular orbital on top of density

Project Activity

See All Activity >

License

GNU General Public License version 3.0 (GPLv3)

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Additional Project Details

Operating Systems

Linux

User Interface

OpenGL, Qt

Programming Language

C++

Related Categories

C++ Molecular Science Software, C++ Chemistry Software

Registered

2025-03-02

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