expsolve

A differentiable numerical algorithms package for computational quantum mechanics.

Installation

To install, run:

pip install expsolve

Time-propagators for linear, non-linear and non-autonomous equations based on
- Splitting and Composition methods [available]
- Exponential Integrators [to be added]
- Magnus expansion [to be added]
- Commutator-free methods [to be added]
- Krylov subspace methods [to be added]
- Rational and Shift-and-Invert Krylov methods [to be added]
- Rational approximations [to be added]
Spatial representations including
- Fourier spectral discretisation [available]
- Finite differences [to be added]
- Hexagonal grids [available]
- Spin systems [to be added]

Please see the examples directory for tutorial notebooks.