Dear Tao (and anyone else interested),
The "non-GSAS" file need only be a fixed format ascii file with atom
records somewhere in a block within the file. GSAS will enquire (in great
detail) about every single item (atom name, x, y, z etc.) that it might
possibly find or want from this file. This c
Dear All,
When setting up refinement models in GSAS the program menu gives the
option of reading atoms into GSAS by non-GSAS file. Could anybody
kindly tell me how to setup this file (format etc.)? I need to refine a
structure with scores of atoms in the asymmetric unit and inputting them
one by
