Download
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
Project Samples
License
GNU General Public License version 2.0 (GPLv2)Follow QMForge
Other Useful Business Software
Train ML Models With SQL You Already Know
Build and deploy ML models using familiar SQL. Automate data prep with built-in Gemini. Query 1 TB and store 10 GB free monthly.
Rate This Project
Login To Rate This Project
User Reviews
-
5 out of 5 starsNeat app
-
5 out of 5 starsThanks for software and updates.
