The Knowledgebase of Interatomic Models (KIM) - Lammps
The Knowledgebase of Interatomic Models (KIM) - Lammps
The Knowledgebase of Interatomic Models (KIM) - Lammps
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<strong>KIM</strong> API Standard<br />
An Application Programming Interface (API) standard has been defined which enables<br />
any Test to work seamlessly with any Model.<br />
Test<br />
(simulation code)<br />
main program<br />
• Stand-alone computer program or<br />
input script to library code that<br />
computes a property <strong>of</strong> interest.<br />
• Can be written in any language<br />
supported by the API (Fortran 77,<br />
Fortran 90, C, C++, Python, Java, ...)<br />
pointer<br />
pointer<br />
standardized,<br />
packed<br />
data<br />
structure<br />
“API Object”<br />
Model<br />
(interatomic potential)<br />
subroutine<br />
• Subroutine that given a set <strong>of</strong><br />
atomic positions, species, ...<br />
computes energy, forces, ...<br />
• Can be written in any language<br />
supported by the API (Fortran 77,<br />
Fortran 90, C, C++, Python, Java, ...)<br />
Objective: to have the <strong>KIM</strong> API be adopted as a community standard so that<br />
any interatomic Model will be able to be run with any simulation code.<br />
Open<strong>KIM</strong>.org<br />
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