saves user defined symmetry operators
Syntax
sym = swsym.add(symStr)
sym = swsym.add(symStr,symName)
Description
sym = swsym.add(symStr) saves the symmetry generators in symStr into
the symmetry.dat file and returns the line number of the space group in
the symmetry.dat file.
sym = swsym.add(symStr,symName) also assigns a label symName to the
new symmetry operators (space group).
Input Arguments
symStr- String, that contains the operators of the space group. If not only the generators are given, a possible set of generators will be determined and only those will be saved. The format of the string is described in swsym.str.
symName- Label for the space group.