Skip to content
  • Juan Rodriguez-Carvajal's avatar
    Extensive changes in CrysFML08. Now it is possible to read within a CFL file... · 31eb4a26
    Juan Rodriguez-Carvajal authored
    Extensive changes in CrysFML08. Now it is possible to read within a CFL file symmetry information of whatever kind (crystallographic, Shubnikov groups, superspace in database, generated superspace groups, etc), including modulation vectors, harmonics and Q-coefficients. Atoms of any kind with modulation functions of occupation, magnetic moments, static displacements and thermal displacements. All these variables have been just introduced extending the initial Atom, and atom list, types. The same things should be possible by reading CIF files.
    31eb4a26