About Atomic Global Minimum Locator
This software searches the potential energy surface of small to medium size atomic systems for global minima using quantum ab initio techniques. It performs bond rotations and molecule translations and rotations on a...
This software searches the potential energy surface of small to medium size atomic systems for global minima using quantum ab initio techniques. It performs bond rotations and molecule translations and rotations on a Linux cluster with MPI.
Features
- Performs searches for global minimum chemical structures using external quantum chemistry programs
- Flexible initialization of random chemical structures
- Advanced search algorithms including simulated annealing, basin hopping, particle swarm optimization, and a simple genetic algorithm
- MPI capabilities allow the program to run on any number of Linux nodes
- Incomplete runs can be easily restarted
- Can also perform transition state searches
- Support for ADF, GAMESS, GAMESS-UK, Firefly, Gaussian, Jaguar, Molpro, and ORCA
Previous Versions
Here you can find the changelog of Atomic Global Minimum Locator since it was posted on our website on 2015-04-24 03:00:00.
The latest version is 5.2 and it was updated on 2024-03-19 19:05:25. See below the changes in each version.
Atomic Global Minimum Locator version 5.2
Updated At: 2012-09-09
Atomic Global Minimum Locator version files
Updated At: 2011-03-31
Changes: Several fixes and updates
Disclaimer
External Download
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