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QMCkl tutorials

Binder

The goal of this repository is to provide material for new users of the QMCkl library in general and of the qmckl Python API in particular.

To obtain a local copy of the .ipynb files, you can clone this repository and manually convert notebooks using, e.g. jupytext --to notebook tutorial_h2o.md command.

Content

  1. Learn how to perform a simple VMC optimization using the qmckl Python API: simple VMC using QMCkl.

Why Jupyter Notebooks?

  • Jupyter notebooks are a common format for communicating scientific information.
  • Jupyter notebooks can be launched in Binder, so that users can interact with tutorials.

Note

You may notice that the notebooks are stored in markdown format (.md files) instead of the conventional .ipynb format. Conversion between .ipynb and .md notebook formats is facilitated by the jupytext package.