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:
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