Code snippets like:
Function SymKey( s :[Single, Symop]) { # symop string
# <...>
Else n = AtoI(s[0])
# <...>
and
Function SymLat( s :[Single, Symop]) { # symop string
# <...>
Else v = [ AtoI(s[2]), AtoI(s[3]), AtoI(s[4]) ]
# <...>
assumes that in a symop string (e.g. 1_555) the numeric space group id will only consists of a single digit (located in the first position of the string). This is incorrect, since many space groups contain more than 9 symmetry operations.
Code snippets like:
and
assumes that in a symop string (e.g.
1_555) the numeric space group id will only consists of a single digit (located in the first position of the string). This is incorrect, since many space groups contain more than 9 symmetry operations.