Rust, Fortran, and Ruby interfaces
Contents
Rust, Fortran, and Ruby interfaces#
The Fortran, and Ruby interfaces are expected to work at a certain level, but not supported as well as the Python interface.
Fortran interface#
Fortran interface spglib.f90 is found in example directory. This fortran interface is originally contributed by Dimitar Pashov and has been updated by some other people. spglib_f.c is obsolete and is not recommended to use.
Rust interface#
Rust interface contributed by Seaton Ullberg. The documentation is found at https://docs.rs/crate/spglib/.
Ruby interface#
Note that this ruby interface was written in ancient times, so may not work with the recent ruby.
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
specified 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.