v0.1.1

What's Changed

• Regex update by @tjjarvinen in #4
• Add scripts to generate spectrum and view it by @tjjarvinen in #5

New Contributors

• @tjjarvinen made their first contribution in #4

Full Changelog: v0.1.0...v0.1.1

v0.1.0

Initial working release.

Features

• IR-spectrum can be calculated from CP2K dipole files.
• Autocorrelation functions can be formed from other data, but there are no readers for them.