Fortran and Ruby interfaces¶

It is expected that Fortran and Ruby interfaces work at a certain level but not as goog as Python interface.

Ruby interface¶

The ruby script symPoscar.rb in ruby directory reads a VASP POSCAR formatted file and finds the space-group type. The -l option refines a slightly distorted structure within tolerance spacified with the -s option. The -o option gives the symmetry operations of the input structure.

ruby symPoscar.rb POSCAR -s 0.1 -o -l

Some more options are shown with --help option:

ruby symPoscar.rb --help

The way to compile the ruby module is explained in ruby/README.

Fortran interface¶

Fortran interface spglib_f08.f90 is found in example directory. This fortran interface is the contribution from Dimitar Pashov. spglib_f.c is obsolete and is not recommended to use.