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# Copyright (c) 2012,   Institute for Theoretical and Applied Physics
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# Contributors:
#    Daniel Schopf
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This directory contains a Model Driver written in C for EAM potentials in IMD
format. It reads tabulated potentials and calculates forces and energies by
interpolating between these values.

The format is described on the IMD homepage:

http://imd.itap.physik.uni-stuttgart.de/userguide/eam2.html

Currently the computation of 'energy', 'forces, 'particleEnergy' and
'process_dEdr' are supported.

Updates:
_002 : Fixed problem of occasional crashes in KIM_API_getm_compute_by_index
_003 : Update to be compatible with KIM API v2.0

To create a KIM Model from this Model Driver, the following files are required:

(1) Parameter file containing the name of the Model and the name of the potential files (.params extension)

(2) Tabulated potential data for the pair potentials; IMD parameter core_potential_file with (.pt extension)

(3) Tabulated potential data for the electron density (transfer) functions; IMD parameter atomic_e-density_file (.pt extension)

(4) Tabulated potential data for the embedding functions; (IMD parameter embedding_energy_file (.pt extension)

(5) 'species.params' file containing the number of species and the specific order in which they are to be indexed internally by the model driver
