Browse Code
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
License
GNU General Public License version 3.0 (GPLv3)Follow QTPN
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