Package mctc-lib

Modular computation tool chain library

https://grimme-lab.github.io/mctc-lib/

Common tool chain for working with molecular structure data in various
applications. This library provides a unified way to perform
operations on molecular structure data, like reading and writing to
common geometry file formats.

Version: 0.3.0

General Commands

mctc-convert Convert between supported input formats of the tool chain library