Model Driver for the temperature-dependent Morse pair potential shifted to zero energy at cutoff separation v002Ryan S. Elliott
This Model Driver implements the effective interatomic potential (EIP) based on the Morse functional form of Guthikonda and Elliott (2009). In an EIP the parameters are taken to be temperature-dependent so that the EIP represents the free energy of the system. The potential is shifted in energy so that it takes a value of zero at the cutoff separation. This version fixes a bug in the computation of temperture dependent parameters.
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