qmforge

We have hosted the application qmforge in order to run this application in our online workstations with Wine or directly.

Quick description about qmforge:

QMForge reads output from various quantum mechanical calculations and provides tools for analyzing these results. Specifically, population (Mulliken and C-squared), fragment, and charge decomposition analyses are available.

See https: //qmforge.net for more info.

Features:

• Analyze electronic structure (Mulliken, C-squared, and Lowdin Population Analyses)
• Mayer's Bond Orders
• Charge Decomposition Analysis (CDA)
• Fragment Analysis
• Extract the steps along a geometry optimization
• Animate the Normal Modes of a frequency calculation and save as an animated GIF
• Plot and save the energies/intensities of a frequency calculation
• Plot and save the results of an Excited State (e.g. TD-DFT) calculation

Audience: Science/Research.
User interface: OpenGL, Qt.
Programming Language: Python.
Categories: