Materials Algorithms Project
Crystallography: Subroutines Library

This index contains SUBBROUTINES relating to the modelling of crystallographic phenomena.

MAP_CRYSTAL_ANGLEE: Finds the angle between two vectors.; Language: FORTRAN

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

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

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

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

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

MAP_CRYSTAL_ORIENT: Contains rotation matrices defining the symmetry operations of a cubic lattice.; Language: FORTRAN

MAP_CRYSTAL_PAIR: Calculates all 24 symmetry-related axis-angle 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

MAP_CRYSTAL_ROTAT: Calculates the 23 axis-angle pairs which are equivalent to a given axis-angle pair in a cubic lattice.; Language: FORTRAN

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

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