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Python package for interacting with the Fortran QDYN library and tools

Project description

QDYN Python Package

QDYN-pylib is a Python package qdyn for interacting with the Fortran QDYN library and tools. Its purpose is to:

  • generate config files and input data for QDYN
  • read data generated by QDYN routines
  • provide tools for debugging, testing, and documenting QDYN
  • wrap QDYN's "utility" programs like qdyn_prop_traj and qdyn_optimize
  • provide interoperability of QDYN with other optimal control and quantum packages like scipy.optimize, QuTiP and the Krotov Python Package.

The package is not a direct wrapper around QDYN that would allow to call QDYN Fortran routines from Python.

Installation

To install the latest released version of QDYN-pylib, run this command in your terminal:

pip install qdyn

This is the preferred method to install QDYN-pylib, as it will always install the most recent stable release.

If you are a QDYN developer, you can install the latest development version of QDYN-pylib with the following command:

pip install git+git@gitlabph.physik.fu-berlin.de:ag-koch/qdyn.git@master#egg=qdyn&subdirectory=qdynpylib

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