QMForge

5.0 Stars (6)
23 Downloads (This Week)
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Download QMForge-2.2.tar.gz
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Description

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 the webpage for more info

QMForge Web Site

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

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User Reviews

  • gtg462w
    1 of 5 2 of 5 3 of 5 4 of 5 5 of 5

    Neat app

    Posted 11/10/2013
  • saramills
    1 of 5 2 of 5 3 of 5 4 of 5 5 of 5

    Thanks for software and updates.

    Posted 06/22/2013
  • colefisher
    1 of 5 2 of 5 3 of 5 4 of 5 5 of 5

    excellent app

    Posted 12/20/2012
  • jacksonchase
    1 of 5 2 of 5 3 of 5 4 of 5 5 of 5

    Simple. Useful. Light.

    Posted 09/16/2012
  • blakeelliott
    1 of 5 2 of 5 3 of 5 4 of 5 5 of 5

    great app, works nicely

    Posted 03/24/2012
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Additional Project Details

Languages

English

Intended Audience

Science/Research

User Interface

OpenGL, Qt

Programming Language

Python

Registered

2007-09-13

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