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Object-oriented microkinetic modeling package using ASE

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micki

A modular, extensible, robust object-oriented microkinetic modeling package written in Python.

DEPENDENCIES:

  • lapack (MKL by default "-lmkl_rt"; can specify alternative LAPACK library via MICKI_LAPACK environmental variable)
  • ase
  • numpy
  • sympy
  • sundials (C library) - Tested with version 4.0. Compile Sundials with the following flags to cmake: -DFCMIX_ENABLE=ON -DCMAKE_C_FLAGS="-fPIC" -DLAPACK_ENABLE=ON -DSUNDIALS_INDEX_SIZE=32

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  • Python 100.0%