httk.core package

httk core module

Basic utilities and data definitions that are used throughout the httk code.

A few of the most important components:
fracvector: our general matrix object used to allow exact representation of arrays to allow, e.g., exact matching
of coordinates to existing structures in the database.

ioadapters: our classes for generic handling of IO to files, streams, etc.

structure: our basic definition of a “structure of atoms”