
Materials Algorithms Project
Crystallography: Subroutines Library


This index contains SUBBROUTINES relating to the modelling of crystallographic phenomena.
Format of documentation within this library.
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Subroutines Available
 MAP_CRYSTAL_ANGLEE
 Finds the angle between two vectors.
 Language: FORTRAN
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 MAP_CRYSTAL_CONVERT
 Converts the components of a vector from real to reciprocal space, or vice versa.
 Language: FORTRAN
 MAP_CRYSTAL_CORD
 Calculates the coordinate transformation matrix relating two crystals of arbitrary structure.
 Language: FORTRAN
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 MAP_CRYSTAL_DSP
 Obtains the spacing of planes, when the Miller indices are not those which are systematically absent.
 Language: FORTRAN
 MAP_CRYSTAL_DSPACE
 Obtains the spacing of planes.
 Language: FORTRAN
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 MAP_CRYSTAL_ED1
 Performs electron diffraction analysis in cases where the camera constant is known.
 Language: FORTRAN
 MAP_CRYSTAL_ED2
 Performs electron diffraction analysis in cases where the camera constant is unknown.
 Language: FORTRAN
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 MAP_CRYSTAL_MET1
 Calculates the metric tensor for a cubic crystal structure.
 Language: FORTRAN
 MAP_CRYSTAL_MET2
 Calculates the metric tensor for a tetragonal crystal structure.
 Language: FORTRAN
 MAP_CRYSTAL_MET3
 Calculates the metric tensor for an orthorhombic crystal structure.
 Language: FORTRAN
 MAP_CRYSTAL_MET4
 Calculates the metric tensor for a hexagonal or trigonal crystal structure.
 Language: FORTRAN
 MAP_CRYSTAL_MET5
 Calculates the metric tensor for a monoclinic crystal structure.
 Language: FORTRAN
 MAP_CRYSTAL_MET6
 Calculates the metric tensor for a triclinic crystal.
 Language: FORTRAN
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 MAP_CRYSTAL_NOTAT1
 Converts from four index notation to three index notation for a hexagonal lattice.
 Language: FORTRAN
 MAP_CRYSTAL_NOTAT2
 Converts from three index notation to four index notation for a hexagonal lattice.
 Language: FORTRAN
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 MAP_CRYSTAL_ORIENT
 Contains rotation matrices defining the symmetry operations of a cubic lattice.
 Language: FORTRAN
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 MAP_CRYSTAL_PAIR
 Calculates all 24 symmetryrelated axisangle pairs relating two cubic lattices from an input consisting of a pair of vectors from each crystal and an angle between the two sets.
 Language: FORTRAN
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 MAP_CRYSTAL_ROTAT
 Calculates the 23 axisangle pairs which are equivalent to a given axisangle pair in a cubic lattice.
 Language: FORTRAN
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 MAP_CRYSTAL_TENSOR1
 Calculates the metric tensor and its inverse for a cubic crystal.
 Language: FORTRAN
 MAP_CRYSTAL_TENSOR2
 Calculates the metric tensor and its inverse for a tetragonal crystal.
 Language: FORTRAN
 MAP_CRYSTAL_TENSOR3
 Calculates the metric tensor and its inverse for an orthorhombic crystal.
 Language: FORTRAN
 MAP_CRYSTAL_TENSOR4
 Calculates the metric tensor and its inverse for a hexagonal or trigonal crystal.
 Language: FORTRAN
 MAP_CRYSTAL_TENSOR5
 Calculates the metric tensor and its inverse for a monoclinic crystal.
 Language: FORTRAN
 MAP_CRYSTAL_TENSOR6
 Calculates the metric tensor and its inverse for a triclinic crystal.
 Language: FORTRAN
 MAP_CRYSTAL_TEST1
 Calculates the angle between two reciprocal lattice vectors, and the magnitude of those vectors.
 Language: FORTRAN
 MAP_CRYSTAL_TEST2
 As MAP_CRYSTAL_TEST1.
 Language: FORTRAN
 MAP_CRYSTAL_TYPE
 Checks for systematic absences in various lattice types.
 Language: FORTRAN
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 MAP_CRYSTAL_VECMAG
 Calculates the magnitude of a vector defined in real space.
 Language: FORTRAN
 MAP_CRYSTAL_VOL
 Calculates the unit cell volume from the metric tensor.
 Language: FORTRAN
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