Documentation for module spglib_f08

Interface for SPGLIB symmetry routines

source: spglib_f08.F
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public Subroutines/Functions:

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FUNCTION
INTEGER
spg_get_major_version
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FUNCTION
INTEGER
spg_get_micro_version
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FUNCTION
INTEGER
spg_get_minor_version
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FUNCTIONspg_get_international(symbol, lattice, position, types, num_atom, symprec)

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Return Value ::
INTEGER
Arguments:
CHARACTER,
INTENT(out)
:: symbol(11) ...
REAL(dp),
INTENT(in)
:: lattice(:,:) ...
REAL(dp),
INTENT(in)
:: position(:,:) ...
INTEGER,
INTENT(in)
:: types(:) ...
INTEGER,
INTENT(in)
:: num_atom ...
REAL(dp),
INTENT(in)
:: symprec ...

FUNCTIONspg_get_ir_reciprocal_mesh(grid_point, map, mesh, is_shift, is_time_reversal, lattice, position, types, num_atom, symprec)

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Return Value ::
INTEGER
Arguments:
INTEGER,
INTENT(out)
:: grid_point(:,:) ...
INTEGER,
INTENT(out)
:: map(:) ...
INTEGER,
INTENT(in)
:: mesh(:) ...
INTEGER,
INTENT(in)
:: is_shift(:) ...
INTEGER,
INTENT(in)
:: is_time_reversal ...
REAL(dp),
INTENT(in)
:: lattice(:,:) ...
REAL(dp),
INTENT(in)
:: position(:,:) ...
INTEGER,
INTENT(in)
:: types(:) ...
INTEGER,
INTENT(in)
:: num_atom ...
REAL(dp),
INTENT(in)
:: symprec ...

FUNCTIONspg_get_major_version()

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Return Value ::
INTEGER

FUNCTIONspg_get_micro_version()

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Return Value ::
INTEGER

FUNCTIONspg_get_minor_version()

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Return Value ::
INTEGER

FUNCTIONspg_get_multiplicity(lattice, position, types, num_atom, symprec)

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Return Value ::
INTEGER
Arguments:
REAL(dp),
INTENT(in)
:: lattice(:,:) ...
REAL(dp),
INTENT(in)
:: position(:,:) ...
INTEGER,
INTENT(in)
:: types(:) ...
INTEGER,
INTENT(in)
:: num_atom ...
REAL(dp),
INTENT(in)
:: symprec ...

FUNCTIONspg_get_pointgroup(symbol, trans_mat, rotations, num_rotations)

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Return Value ::
INTEGER
Arguments:
CHARACTER
:: symbol(6) ...
INTEGER,
INTENT(inout)
:: trans_mat(:,:) ...
INTEGER,
INTENT(in)
:: rotations(:,:,:) ...
INTEGER,
INTENT(in)
:: num_rotations ...

FUNCTIONspg_get_schoenflies(symbol, lattice, position, types, num_atom, symprec)

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Return Value ::
INTEGER
Arguments:
CHARACTER,
INTENT(out)
:: symbol(7) ...
REAL(dp),
INTENT(in)
:: lattice(:,:) ...
REAL(dp),
INTENT(in)
:: position(:,:) ...
INTEGER,
INTENT(in)
:: types(:) ...
INTEGER,
INTENT(in)
:: num_atom ...
REAL(dp),
INTENT(in)
:: symprec ...

FUNCTIONspg_get_symmetry(rotation, translation, max_size, lattice, position, types, num_atom, symprec)

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Return Value ::
INTEGER
Arguments:
INTEGER,
INTENT(inout)
:: rotation(:,:,:) ...
REAL(dp),
INTENT(inout)
:: translation(:,:) ...
INTEGER,
INTENT(in)
:: max_size ...
REAL(dp),
INTENT(in)
:: lattice(:,:) ...
REAL(dp),
INTENT(in)
:: position(:,:) ...
INTEGER,
INTENT(in)
:: types(:) ...
INTEGER,
INTENT(in)
:: num_atom ...
REAL(dp),
INTENT(in)
:: symprec ...