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Free Download QMForge
3.2
out
of
5
Rated By
5 Users
Screenshot
Program Information
QMForge Screenshot
License:
OpenSource under LGPL
Size:
12.9 MB
Updated:
Downloads:
1253
Platform:
Windows 2K / XP / 2003 / Vista
Publisher:
Adam Tenderholt(more)
Website:
Unknown
Publisher's Descriptions
QMForge is a program used to analyze the results of quantum chemistry (DFT) calculations.

The following analyses are available:
· Mulliken Population Analysis (MPA)
· C-squared Population Analysis (SCPA)
· Overlap Population Analysis (OPA)
· Mayer's Bond Orders
· Charge Decomposition Analysis (CDA)
· Fragment Analysis

MPA, CSPA, and OPA require a user-defined set of fragments, and prints the percent contributions those fragments make towards each molecular orbital in the molecule. Mayer's bond orders calculates the bond orders between each pair of atoms in the molecule. CDA and Fragment Analysis require three or more calculations (one for the entire molecule, and two fragment calculations), and provide information about the bonding interactions between fragments. What's New in This Release: [ read full changelog ]

· Name change to QMForge
· ORCA support
· Switch to numpy 1.0.2 and openbabel 2.1.1
· Uses cclib built from the 0.8 branch unreleased ORCA parser


You can download QMForge free here.
QMForge Disclamer
Please be aware FindMySoft.com accepts no responsibility for the file you are downloading. The same applies to the information provided about the software products listed.
We do not allow the inclusion of any QMForge serial, keygen or crack and we disclaim any liability for the inappropriate use of QMForge.
FindMySoft advises that QMForge should be only used in accordance with the rules of intellectual property and the existing Criminal Code.
For your own protection ALWAYS check downloaded files for viruses.
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