============= QuickMin Step ============= QuickMin optimizes the (non-periodic) structure using a forcefield. It is intended for smaller molecules, with no more than a few hundred atoms, beyond which point the calculation will become noticeably slow. Also, larger systems usually have many energetically similar conformers, so should be sampled using a conformer search method. .. 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 Geometry Analysis 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