potfit v0.6.0

potfit is a free implementation of the force-matching algorithm to generate effective potentials from ab-initio reference data. It was originally developed by Peter Brommer and was maintained at the Institute for Theoretical and Applied Physics.

Accessing the software

To load the module:

$ module load apps/potfit/v0.6.0

An example command to include in your job script:

mpirun potfit_mpi_eam_stress <parameterfile>

Accessing Previous Versions

Wherever possible, previous versions of this application will be retained for continuity, especially for research projects that require a consistent version of the software throughout the project. Such versions, however, may be unsupported by IT Services or the applications vendor, and may be withdrawn at short or no notice if they can no longer run on the cluster - for example, essential operating system upgrades may be incompatible with old versions.

At present there are no previous versions of this application on the BlueBEAR service.

Known Problems & Limitations

None.

Other Information

The Support Level for this application is An.

Visit the potfit website for more information regarding this application.


Last modified: 7 December 2017