PelePhysics
2022.10

Documentation contents:

  • PelePhysics Quickstart
  • Introduction
  • Chemistry
    • A brief introduction to CVODE
    • CVODE implementation in PelePhysics
    • CVODE implementation in PelePhysics on GPU
    • Analytically reduced chemistry via quasi-steady state (QSS) assumption in PelePhysics
    • CEPTR: Chemistry Evaluation for Pele Through Recasting
  • Transport
  • Equation of State
  • Tutorials
  • Developer Guidelines
PelePhysics
  • Chemistry
  • View page source

Chemistry

Chemistry contents:

  • A brief introduction to CVODE
    • Numerical methods overview
    • Linear Algebra
    • Error control, step-sizing, order determination
  • CVODE implementation in PelePhysics
    • The different reactors
      • Validation of the CV reactor implementation in CVODE (with CANTERA)
    • Activating the different CVODE solver options via the input files
      • The GNUmakefile
      • The input file
    • The ReactEval_C test case with CVODE in details
      • The GNUmakefile
      • The input file
      • Results
    • To go further: ReactEval_C with CVODE and the KLU library
      • The GNUmakefile
      • The input file
      • Results
    • Current Limitations
    • Tricks and hacks, stuff to know
    • How does CVODE compare with DVODE ?
  • CVODE implementation in PelePhysics on GPU
    • Requirements and input files
      • The GNUmakefile
      • The input file
    • Grouping cells together
    • The ReactEval_C_GPU test case in details
      • The GNUmakefile
      • The input file
      • The Results
    • Current Limitations
  • Analytically reduced chemistry via quasi-steady state (QSS) assumption in PelePhysics
    • The QSS assumption
    • The advantage of the QSS assumption
    • From non-QSS species to QSS species concentration
    • Linearizing the set of equations
    • Validation
    • Analytical Jacobian
    • Using the Analytical Jacobian
  • CEPTR: Chemistry Evaluation for Pele Through Recasting
    • Software requirements
    • Usage
    • Converting CHEMKIN files
    • Generating a QSS chemistry file
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