Hi, thank you for this great library. I was wondering if Pyxtal might already contain the matrix transformations from one Hall number to another within the same space group - I see that the transformations are stored as strings in pyxtal/database/HM_Full.csv. I have a use case where I need to convert lattices/fractional coordinates back and forth between the standard according to Volume A of International Tables for Crystallography and the Spglib standard.
Hi, thank you for this great library. I was wondering if Pyxtal might already contain the matrix transformations from one Hall number to another within the same space group - I see that the transformations are stored as strings in
pyxtal/database/HM_Full.csv. I have a use case where I need to convert lattices/fractional coordinates back and forth between the standard according to Volume A of International Tables for Crystallography and the Spglib standard.Thanks!