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Contents:

  • Getting Started
  • API Documentation
  • FAQs

Modules:

  • Input/Output
  • Equations of State
  • Thermodynamic Calculations
  • Parametrization
  • Utilities

Contributing:

  • Have an Issue? Create an Issue or Discussion
  • How to Support This Community
  • Additional Equations of State
  • Additional Thermodynamic Calculations and Utilities
  • Parameter Fitting Features
  • Contributors

Examples:

  • Setting-up a Thermodynamic Calculation
  • Get Started Fitting Parameters
DESPASITO
  • Overview: module code

All modules for which code is available

  • despasito
    • despasito.equations_of_state
      • despasito.equations_of_state.combining_rule_types
      • despasito.equations_of_state.cubic.peng_robinson
      • despasito.equations_of_state.eos_toolbox
      • despasito.equations_of_state.interface
      • despasito.equations_of_state.saft.Aassoc
      • despasito.equations_of_state.saft.Aideal
      • despasito.equations_of_state.saft.compiled_modules.ext_gamma_mie_python
      • despasito.equations_of_state.saft.gamma_mie
      • despasito.equations_of_state.saft.gamma_sw
      • despasito.equations_of_state.saft.saft
      • despasito.equations_of_state.saft.saft_toolbox
    • despasito.input_output.read_input
    • despasito.input_output.write_output
    • despasito.parameter_fitting
      • despasito.parameter_fitting.constraint_types
      • despasito.parameter_fitting.data_classes.TLVE
      • despasito.parameter_fitting.data_classes.flash
      • despasito.parameter_fitting.data_classes.liquid_density
      • despasito.parameter_fitting.data_classes.saturation_properties
      • despasito.parameter_fitting.data_classes.solubility_parameter
      • despasito.parameter_fitting.fit_functions
      • despasito.parameter_fitting.global_methods
      • despasito.parameter_fitting.interface
    • despasito.thermodynamics
      • despasito.thermodynamics.calc
      • despasito.thermodynamics.calculation_types
    • despasito.utils.general_toolbox
    • despasito.utils.parallelization

© Copyright 2019, Jennifer A Clark. Project structure based on the Computational Molecular Science Python Cookiecutter version 1.0.

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