v4.2.0

Added more XIAM-relevant output: BJ, BK, and B- in GHz for each representation, and more explicitly labeling F0 in the output.

v4.1.0

What's Changed

• Sign convention: Atom 0 defines positive a and b directions
• Rotor axis direction points from first rotor atom toward rotor center of mass
• Fix bug in delta/epsilon calculations when one direction cosine is 0

Full Changelog: v4.0.1...v4.1.0

v4.0.1

What's Changed

• Fix zorder in 3d plots by @kncrabtree in #4

Full Changelog: v4.0.0...v4.0.1

v4.0.0

This version contains bugfixes and new features:

• Fixed an issue that switched handedness of some molecules
  

• Established consistent sign convention for direction of rho and rotor axis (rho_a has same sign as the a component of the rotor COM)
  

• Off-diagonal RAM parameters are now calculated correctly
  

• Removed misleading RAM rotation vector; replaced with rotation matrix
  

• Added calculation of CAM parameters (Euler angles for rho and rotor in each representation used in XIAM)
  

• Updated 3d plotting code for better visualizations
  

v3.1.0

Adds 3d plotting capabilities.

v3.0.0

This release adds batch isotopologue calculations.

v2.0.1

Remove nonstandard isotope definitions in one example file.

v2.0.0

Version 2 brings updated plots, more calculated parameters (IAM angles and second moments), and bugfixes.

v1.0.0

Initial release