KIM
Revision as of 21:21, 6 December 2019 by Moskalenko (talk | contribs) (Text replacement - "#uppercase" to "uc")
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