program Symmetry implicit none BEGIN_DOC ! TODO END_DOC integer :: i, j character*8 :: sym print *, 'Molecule is linear:', molecule_is_linear print *, 'Has center of inversion:', molecule_has_center_of_inversion print *, 'Has S2n improper rotation:', molecule_has_improper_rotation print *, 'Symmetry rotation axis:', sym_rotation_axis(:) print *, 'Group:'//point_group print *, 'Symmetry irreps', sym_irrep(1:n_irrep) print *, 'Symmetry operations', sym_operation(1:n_irrep) print *, 'Character table' do i=1,n_irrep print *, character_table(i,:) enddo PROVIDE mo_sym end