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AbCD

Ab-initio Catalyst Dynamic

including feature

  1. Mean-field Microkinetic Modeling
  2. Parameter Estimation
  3. Bayesian Inference

required packages

  1. numpy
  2. scipy
  3. casadi_2.4.2 (https://github.com/casadi/casadi/releases?after=3.0.0-rc3)

Installation

  1. install python=2.7 and required packages (using conda to create myenv environment)
conda create -n myenv python=2.7
conda install -n myenv numpy scipy
  1. install casadi_2.4.2 from (https://github.com/casadi/casadi/releases/tag/2.4.2) add to myenv conda environment
  2. install AbCD
git clone https://github.com/thj2009/AbCD.git
conda develop AbCD
  1. test the installation
python testing/test_cstr.py

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Ab-initio catalytic dynamic

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