.. molssi_doc_theme documentation master file, created by sphinx-quickstart on Thu Mar 15 13:55:56 2018. You can adapt this file completely to your liking, but it should at least contain the root `toctree` directive. The MolSSI Driver Interface Project ========================================================= .. image:: _static/mdi-dark.png :width: 600px :align: center :class: only-dark .. image:: _static/mdi-light.png :width: 600px :align: center :class: only-light The MolSSI Driver Interface (MDI) project provides a :ref:`standardized API` for fast, on-the-fly communication between computational chemistry codes. Traditionally, enabling communication between various computational chemistry codes has required a cumbersome process of writing and reading files to disk. The MolSSI Driver Interface (MDI) project offers a streamlined API that facilitates direct, on-the-fly communication between different programs. With MDI, researchers can now seamlessly link multiple computational tools using a Python or C++ script, bypassing the need for intermediate files. .. grid:: 1 1 2 2 .. grid-item-card:: Getting Started :margin: 0 3 0 0 Learn how to use MDI for ab initio MD and how to write your own driver. .. button-link:: ./getting_started/index.html :color: primary :expand: To the Getting Started Guide .. grid-item-card:: User Guide :margin: 0 3 0 0 The User Guide provides detailed information on the design of and how to use MDI. .. button-link:: ./user_guide/index.html :color: primary :expand: To the User Guide .. grid-item-card:: API Reference :margin: 0 3 0 0 The API Reference provides detailed information on the MDI Standard, including the C, C++, and Python APIs. .. button-link:: ./api/index.html :color: primary :expand: To the API Reference. .. grid-item-card:: Developer Guide :margin: 0 3 0 0 How to make your code MDI-compliant. .. button-link:: ./developer_guide.html :color: primary :expand: To the Developer Guide .. toctree:: :maxdepth: 2 :hidden: :titlesonly: getting_started/index user_guide/index api/index developer_guide/index