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Welcome to the PyAngstrom documentation! There are several ways to use this library, ranging from the least hands-on to that of the most meticulous control.

To get started, the basics of PyAngstrom are covered in Basic Usage. If you feel unsatisfied with what PyAngstrom provides out of the box, consult the Advanced Usage guide for ways to extend and customize PyAngstrom to your needs.

Lastly, if you are migrating from Yuan Hu's original implementation for NTRG, read the NTRG Guide for the easiest way to use PyAngstrom with your old CSV configuration files!