Skip to content

First release of VibrAv

Choose a tag to compare

View all tags
@herbertludowieg herbertludowieg released this 20 Apr 19:08
v0.1.0
8c7f61e

The first release of the VibrAv code.

This code can perform two step numerical differentiation for

  • Zero-point vibrational corrections
  • Vibrational Raman Optical Activity
  • Vibronic coupling of
    • Electric dipole moment
    • Magnetic dipole moment
    • Electric quadrupole moment

Full Changelog: https://github.com/herbertludowieg/vibrav/commits/v0.1.0

Assets 2
Loading