NERDSS and ioNERDSS User Guide
Instructions and descriptions of NERDSS in details can be found in the NERDSS user guide
Instructions and descriptions on helper functions included in the ioNERDSS package can be found in more details in the ioNERDSS user guide:
Interactive angle tools
The five association angles — θ1, θ2, φ1, φ2 and ω — are the fiddliest part of writing a parameter file. Both pages below are built from the measurement code itself, so they agree with what the simulator does, including at the special cases where an angle is undefined, where an angle should be written as nan, and where ω is read from the normal vectors instead of the centre-of-mass arms.
Set the five angles and watch the bound geometry they produce, with each sign convention and singularity exposed as you move them:
Or work backwards: give the bound-state coordinates and the two normal vectors, and read off the five angles together with the assocAngles line to paste into your parameter file:
