to_hdf5

to_hdf5(fname, label=None, T_min=None, T_max=None, nT=64, err_tol=0.01, rate_min=1e-30, rate_max=1e100, fast_log=False, include_all=False, verbose=False)

Tabulates reaction rate coefficients on a temperature grid and writes to HDF5.

Parameters

fname : str or Path

Output file path. If the file name doesn't end with a .hdf5 extension, the extension is forced to .hdf5.

label : str or None, optional

Dataset label. Defaults to filename without extension.

T_min : float or None, optional

Minimum temperature in Kelvin. Defaults to reaction.tmin.

T_max : float or None, optional

Maximum temperature in Kelvin. Defaults to reaction.tmax.

nT : int, optional

Initial number of temperature grid points. The adaptive refinement may increase this significantly. Default 64.

err_tol : float, optional

Maximum permitted relative interpolation error. None skips adaptive refinement and return exactly nT points. Default 0.01.

rate_min : float, optional

Small positive floor used in the relative-error denominator to avoid division by zero for near-zero rates. Default 1e-30.

rate_max : float, optional

Upper clamp applied to each rate before storing; prevents overflow in log-rate arithmetic. Default 1e100.

fast_log : bool, optional

Use fast logarithm approximation. Default False.

include_all : bool, optional

If True, include all reactions in the output even if they contain NaN values or have a constant rate. Default False.

verbose : bool, optional

Print progress. Default False.