CrystalGeometry.f90 File Reference

Data Types
type	crystalgeometry::unitcell
type	crystalgeometry::originunitcell
interface	crystalgeometry::assignment(=)

Modules
module	crystalgeometry

Functions/Subroutines
subroutine	crystalgeometry::array_to_unitcell (resUnitCell, UnitCellParameters)
subroutine	crystalgeometry::unitcell_to_array (inUnitCell, UnitCellParameters)
subroutine	crystalgeometry::setunitcellparameters (this)
	Set unit cell's parameters when the vectors are known. More...
subroutine	crystalgeometry::setunitcellvolume (this)
subroutine	crystalgeometry::setunitcellmetric (this)
subroutine	crystalgeometry::setunitcellvectors (this)
subroutine	crystalgeometry::setunitcellcovectors (this)
type(vector) function	crystalgeometry::physicaltocrystal (this, PhysicalVector)
type(vector) function	crystalgeometry::crystaltophysical (this, CrystalVector)
type(vector) function	crystalgeometry::physicaltoreciprocal (this, PhysicalVector)
type(vector) function	crystalgeometry::reciprocaltophysical (this, ReciprocalVector)
subroutine	crystalgeometry::buildbrillouinzone
subroutine	crystalgeometry::transformcartesiantofractional (unit_cell, cartesian, fractional)
subroutine	crystalgeometry::transformfractionaltocartesian (unit_cell, fractional, cartesian)
type(unitcell) function, pointer	crystalgeometry::unit_cell_from_polymorphic (x)
subroutine	crystalgeometry::deallocate_unitcell (pUnitCell)
	Deallocates a variable of type UnitCell. More...