PyMOlyze is a graphical program to analyze the results of quantum chemistry (HF/DFT) calculations. Features include various population analyses, fragment analysis, monitoring structures during an optimization, and a simple, but powerful, XYZ editor.

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Categories

Molecular Science, Chemistry

License

GNU General Public License version 2.0 (GPLv2)

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Additional Project Details

Languages

English

Intended Audience

Science/Research

User Interface

Qt

Programming Language

Python, C++

Related Categories

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

Registered

2006-01-18
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