calculate_speeds() missed the factor xr with sin\theta. Checked with an O- PES which has well defined fine-structure intensities. From memory 0.08, 0.36, 1, for the 3P0,1,2 <- 2P3/2 transitions
calculate_speeds() missed the factor xr with sin\theta. Checked with an O- PES which has well defined fine-structure intensities. From memory 0.08, 0.36, 1, for the 3P0,1,2 <- 2P3/2 transitions

PyAbel/PyAbel,stggh/PyAbel,huletlab/PyAbel,rth/PyAbel,DhrubajyotiDas/PyAbel