Feb 21


Transformers is a python script which can apply symmetry operations or linear maps on crystallographic parameters (coordinates, ADPs, eigenvalues and their esds). It uses the full variance/covariance matrix so the standard uncertainties is correctly calculated. The calculation is exact, meaning … Continue reading

Feb 09


We must all congratulate Pascal on the fancy new look to debroglie.net, very nice. There is a slight delay on the platon update as Ton has appeared to have altered the file structure a bit which I will have to … Continue reading