Metadata-Version: 2.1
Name: mlxtk
Version: 0.8.4
Summary: Toolkit to design, run and analyze ML-MCTDH(X) simulations
Home-page: https://github.com/f-koehler/mlxtk
License: MIT
Keywords: physics,quantum,dynamics,ML-MCTDHX,MCTDHB,MCTDHF,dataflow
Author: Fabian Köhler
Author-email: fkoehler@physnet.uni-hamburg.de
Requires-Python: >=3.6.1,<3.9
Classifier: Development Status :: 3 - Alpha
Classifier: Environment :: Console
Classifier: Environment :: MacOS X
Classifier: Environment :: X11 Applications :: Qt
Classifier: Intended Audience :: Education
Classifier: Intended Audience :: Science/Research
Classifier: License :: OSI Approved :: MIT License
Classifier: Natural Language :: English
Classifier: Operating System :: MacOS
Classifier: Operating System :: POSIX :: Linux
Classifier: Operating System :: Unix
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3 :: Only
Classifier: Programming Language :: Python :: 3.6
Classifier: Programming Language :: Python :: 3.7
Classifier: Programming Language :: Python :: 3.8
Classifier: Topic :: Education
Classifier: Topic :: Scientific/Engineering
Classifier: Topic :: Scientific/Engineering :: Physics
Requires-Dist: colorama (==0.4.3)
Requires-Dist: doit (==0.32)
Requires-Dist: future (==0.18.2)
Requires-Dist: h5py (==2.10)
Requires-Dist: jinja2 (==2.11.2)
Requires-Dist: matplotlib (==3.2.2)
Requires-Dist: numpy (==1.18.5)
Requires-Dist: numpy-stl (==2.11.2)
Requires-Dist: pandas (==1.0.4)
Requires-Dist: pathos (==0.2.6)
Requires-Dist: prompt-toolkit (==3.0.5)
Requires-Dist: pyside2 (==5.15.0)
Requires-Dist: pyyaml (==5.3.1)
Requires-Dist: scipy (==1.4.1)
Requires-Dist: sympy (==1.6)
Requires-Dist: tabulate (==0.8.7)
Requires-Dist: tqdm (==4.46.1)
Project-URL: Documentation, https://github.com/f-koehler/mlxtk
Project-URL: Repository, https://github.com/f-koehler/mlxtk
Description-Content-Type: text/markdown

mlxtk
=====
![PyPI](https://img.shields.io/pypi/v/mlxtk)
![PyPI - Python Version](https://img.shields.io/pypi/pyversions/mlxtk)
![PyPI - License](https://img.shields.io/pypi/l/mlxtk)
[![Updates](https://pyup.io/repos/github/f-koehler/mlxtk/shield.svg)](https://pyup.io/repos/github/f-koehler/mlxtk/)
[![Python 3](https://pyup.io/repos/github/f-koehler/mlxtk/python-3-shield.svg)](https://pyup.io/repos/github/f-koehler/mlxtk/)

Toolkit to design, run and analyze ML-MCTDH(X) simulations

Description
-----------
mlxtk gives the user a simple interface to setup physical systems and provides
common simulation tasks to be used as building blocks to set up rather complex
simulations. Data is automatically stored in efficient formats (i.e. HDF5 and
gzipped files).

Simulations can also be used in the context of parameter scans where each
simulation is executed for each specified parameter combination. Submission
of simulation jobs to computing clusters is easily achieved from the command
line.

Furthermore, analysis and plotting tools are provided to interpret the
simulation outcome.

