atomate2-turbomole documentation#
Version: 0.3rc1
Atomate2-turbomole is an add-on package for atomate2
Atomate2-turbomole is built to work with Turbomole , and is built on top of open source libraries such as pymatgen, custodian, jobflow and turbomoleio.
Getting Started
If you want to get started quickly, check out our quickstart section. It contains an introduction to atomate2-turbomole.
User Guide
The user guide provides in-depth information on the key concepts of atomate2-turbomole with useful background information and explanation.
API Reference
The reference guide contains a detailed description of the functions, modules, and objects included in atomate2-turbomole. The reference describes how the methods work and which parameters can be used. It assumes that you have an understanding of the key concepts.
Contributor’s Guide
Want to add to the codebase? The contributing guidelines will guide you through the process of improving atomate2-turbomole.