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EAM_Dynamo__MD_120291908751_001

Title
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EAM Model Driver which reads 'Dynamo setfl' and 'Dynamo funcfl' table files for the Embedded-Atom Method (EAM) potential, and 'Finnis Sinclair setfl' table files for the Finnis Sinclair potential.
Description 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 driver is written in C++. The driver is designed to mimic/reproduce the behavior of LAMMPS's eam, eam/alloy, and eam/fs pair_styles. The type of table file provided is automatically detected. 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. This Model Driver expects b > 1 when multiple funcfl files are used to define a multi-species Model. Otherwise, it expects b = 1. In this case it determines the type of provided table file by the file's contents.
Disclaimer
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None
Contributor Ryan S. Elliott
Maintainer Ryan S. Elliott
Publication Year 2014
How to Cite Click here to download this citation in BibTeX format.
Funding Not available
Short KIM ID
The unique KIM identifier code.
MD_120291908751_001
Extended KIM ID
The long form of the KIM ID including a human readable prefix (100 characters max), two underscores, and the Short KIM ID. Extended KIM IDs can only contain alpha-numeric characters (letters and digits) and underscores and must begin with a letter.
EAM_Dynamo__MD_120291908751_001
Citable Link https://openkim.org/cite/MD_120291908751_001
KIM Item TypeModel Driver
KIM API Version1.6
Programming Language(s)
The programming languages used in the code and the percentage of the code written in each one.
96.74% C++
3.26% Shell
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