Difference between revisions of "KIM"
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Moskalenko (talk | contribs) (Created page with "Category:Software {|<!--CONFIGURATION: REQUIRED--> |{{#vardefine:app|kim}} |{{#vardefine:url|https://openkim.org/kim-api/}} <!--CONFIGURATION: OPTIONAL (|1}} means it's ON...") |
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Revision as of 21:21, 6 December 2019
Description
The KIM API is an Application Programming Interface for atomistic simulations. The API provides a standard for exchanging information between atomistic simulation codes (molecular dynamics, molecular statics, lattice dynamics, Monte Carlo, etc.) and interatomic models (potentials or force fields). It also includes a set of library routines for using the API with bindings for:
- FORTRAN 77
- Fortran 90/95
- Fortran 2003
- C
- C++
By conforming to this API, an atomistic simulation code will seamlessly work with any KIM-compliant interatomic model written in any supported language. The interface is computationally efficient and often requires relatively minor changes to existing codes.
Required Modules
Parallel (OpenMP)
- intel
- kim
System Variables
- HPC_KIM_DIR - installation directory