#### EAM_QuinticHermiteSpline__MD_029719603993_002

Title A single sentence description. EAM Model Driver with quintic Hermite spline interpolation EAM Model Driver which reads 'Dynamo setfl', 'Dynamo funcfl', and 'Finnis Sinclair setfl' table files for the Embedded-Atom Method (EAM) and Finnis Sinclair potentials (the type of table file is detected automatically). Written in C++, the driver is designed to mimic the behavior of LAMMPS's eam, eam/alloy, and eam/fs pair_styles, except that (1) it uses quintic Hermite splines instead of cubic Hermite splines and (2) rather than perform linear extrapolation in the event that the embedding density is outside of the interpolative regime tabulated in the parameter file for the relevant species, this implementation provided here will simply return an error message and exit. This Model Driver complies with the KIM API interface standard, using any NBC and iterator or locator mode, publishes its parameters, and supports optional computation of energy', forces', particleEnergy', process_dEdr', and `process_d2Edr2'. Its initialization routine takes a KIM API object pointer, a pointer to a two-dimensional character array (each row of which contains the full path to a parameter file) of the form a[b][c], a pointer to the value of c, and a pointer to the value of b. When multiple funcfl files are used to define a multispecies Model, the driver expects b > 1. In all other cases, it expects b = 1, and the format of the provided table file is determined based on its contents. None Mingjian Wen Mingjian Wen 2018 Click here to download this citation in BibTeX format. Not available MD_029719603993_002 EAM_QuinticHermiteSpline__MD_029719603993_002 https://openkim.org/cite/MD_029719603993_002 Model Driver 1.6 LAMMPS : — full To facilitate auto-detection of table file type, all floating point values are required to be proper floating point numbers with at least a decimal point. This is required in order to distinguish them from integer values. LAMMPS : — full To facilitate auto-detection of table file type, all floating point values are required to be proper floating point numbers with at least a decimal point. This is required in order to distinguish them from integer values. LAMMPS : — full To facilitate auto-detection of table file type, all floating point values are required to be proper floating point numbers with at least a decimal point. This is required in order to distinguish them from integer values. 96.95% C++ 3.05% Shell EAM_QuinticHermiteSpline__MD_029719603993_001

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