KINTERA Documentation

Welcome to KINTERA’s documentation!

KINTERA is a high-performance library for atmospheric chemistry and thermodynamics calculations, combining C++ performance with Python accessibility through pybind11 bindings.

Contents:

Overview

KINTERA provides efficient implementations of:

  • Chemical kinetics calculations - Comprehensive reaction mechanism support

  • Thermodynamic equation of state - Advanced phase equilibrium computations

  • Atmospheric chemistry models - Cloud physics with nucleation and condensation modeling

  • PyTorch Integration - Native tensor operations with GPU acceleration support

Key Features

  • High Performance: C++17 core with optional CUDA support

  • Python Interface: Full Python API via pybind11

  • PyTorch Integration: Native tensor operations using PyTorch

  • Type Hints: Complete type annotations for IDE support and type checking

  • Flexible: Support for Earth, Jupiter, and custom atmospheric compositions

Getting Started

Install KINTERA with pip:

pip install numpy 'torch==2.7.1' 'pyharp>=1.7.1'
pip install kintera

For more detailed installation instructions, see the Installation guide.

Quick Example

Here’s a simple example to get you started:

import torch
import kintera
from kintera import ThermoOptions, ThermoX

# Load configuration from YAML
op = ThermoOptions.from_yaml("jupiter.yaml")
thermo = ThermoX(op)

# Set up state variables
temp = torch.tensor([200.], dtype=torch.float64)
pres = torch.tensor([1.e5], dtype=torch.float64)

# Define species composition
species = op.species()
nspecies = len(species)
xfrac = torch.rand((1, 1, nspecies), dtype=torch.float64)
xfrac /= xfrac.sum(dim=-1, keepdim=True)

# Compute equilibrium
thermo.forward(temp, pres, xfrac)
print("Equilibrium composition:", xfrac)

See the Quickstart Guide guide for more examples.

Support and Contributing

License

See the LICENSE file for details.

Indices and tables