Welcome to the documentation for the xTB SEAMM plug-in ====================================================== xTB is a family of fast, robust extended tight-binding methods from the Grimme group. This plug-in lets a SEAMM flowchart drive xTB calculations: single-point energies, geometry optimizations, and harmonic vibrational frequencies on molecular systems, with optional implicit solvation. .. grid:: 1 1 2 2 .. grid-item-card:: Getting Started :margin: 0 3 0 0 A simple introduction .. button-link:: ./getting_started/index.html :color: primary :expand: To the Getting Started Guide .. grid-item-card:: User Guide :margin: 0 3 0 0 A complete guide to using this step .. button-link:: ./user_guide/index.html :color: primary :expand: To the User Guide .. grid-item-card:: Developer Guide :margin: 0 3 0 0 Contributing to the code. Fixing bugs, adding functionality .. button-link:: ./developer_guide/index.html :color: primary :expand: To the Developer Guide .. grid-item-card:: API Reference :margin: 0 3 0 0 The API for the xTB Step .. button-link:: ./api/index.html :color: primary :expand: To the API Reference. .. toctree:: :hidden: :maxdepth: 1 :titlesonly: getting_started/index user_guide/index developer_guide/index api/index More Information ================ .. toctree:: :maxdepth: 1 :titlesonly: authors history Main SEAMM documentation