Difference between revisions of "KIM"
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| − | + | Run <code>module spider {{#var:app}}</code> to find out what environment modules are available for this application. | |
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==System Variables== | ==System Variables== | ||
* HPC_{{uc:{{#var:app}}}}_DIR - installation directory | * HPC_{{uc:{{#var:app}}}}_DIR - installation directory | ||
Revision as of 17:31, 10 June 2022
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.
Environment Modules
Run module spider kim to find out what environment modules are available for this application.
System Variables
- HPC_KIM_DIR - installation directory