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