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...
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 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
Previous Versions
Here you can find the changelog of QMForge since it was posted on our website on 2015-04-26 03:00:00.
The latest version is 2.2 and it was updated on 2024-03-19 19:33:46. See below the changes in each version.
QMForge version 2.2
Updated At: 2011-12-11
QMForge version QMForge-2.1
Updated At: 2007-10-29
Changes: Several fixes and updates
Disclaimer
External Download
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