KIM

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Description

kim website  

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