numkit — Numerical analysis toolkit

A collection of functions and classes built on top of NumPy and SciPy to aid the numerical analysis of data. It is geared towards the use of data coming from molecular simulations, namely time series. It is used in gromacs.analysis.

See also

Core functionality is based on SciPy (scipy module).

Contents:

• numkit.fitting — Fitting data
• numkit.timeseries — Time series manipulation and analysis
• numkit.integration — Numerical integration of data
• numkit.observables — Observables as quantities with errors