cell_types.F File Reference

#include "../base/base_uses.f90"

Go to the source code of this file.

Modules
module	cell_types
	Handles all functions related to the CELL.

Functions/Subroutines
subroutine, public	cell_types::cell_clone (cell_in, cell_out, tag)
	Clone cell variable. More...
subroutine, public	cell_types::cell_copy (cell_in, cell_out, tag)
	Copy cell variable. More...
subroutine, public	cell_types::parse_cell_line (input_line, cell_itimes, cell_time, h, vol)
	Read cell info from a line (parsed from a file) More...
subroutine, public	cell_types::get_cell (cell, alpha, beta, gamma, deth, orthorhombic, abc, periodic, h, h_inv, symmetry_id, tag)
	Get informations about a simulation cell. More...
real(kind=dp) function, public	cell_types::plane_distance (h, k, l, cell)
	Calculate the distance between two lattice planes as defined by a triple of Miller indices (hkl). More...
subroutine, public	cell_types::real_to_scaled (s, r, cell)
	Transform real to scaled cell coordinates. s=h_inv*r. More...
subroutine, public	cell_types::scaled_to_real (r, s, cell)
	Transform scaled cell coordinates real coordinates. r=h*s. More...
subroutine, public	cell_types::cell_retain (cell)
	retains the given cell (see doc/ReferenceCounting.html) More...
subroutine, public	cell_types::cell_release (cell)
	releases the given cell (see doc/ReferenceCounting.html) More...

Variables
integer, parameter, public	cell_types::cell_sym_none = 0
integer, parameter, public	cell_types::cell_sym_triclinic = 1
integer, parameter, public	cell_types::cell_sym_monoclinic = 2
integer, parameter, public	cell_types::cell_sym_monoclinic_gamma_ab = 3
integer, parameter, public	cell_types::cell_sym_orthorhombic = 4
integer, parameter, public	cell_types::cell_sym_tetragonal_ab = 5
integer, parameter, public	cell_types::cell_sym_tetragonal_ac = 6
integer, parameter, public	cell_types::cell_sym_tetragonal_bc = 7
integer, parameter, public	cell_types::cell_sym_rhombohedral = 8
integer, parameter, public	cell_types::cell_sym_hexagonal_gamma_60 = 9
integer, parameter, public	cell_types::cell_sym_hexagonal_gamma_120 = 10
integer, parameter, public	cell_types::cell_sym_cubic = 11
integer, parameter, public	cell_types::use_perd_x = 0
integer, parameter, public	cell_types::use_perd_y = 1
integer, parameter, public	cell_types::use_perd_z = 2
integer, parameter, public	cell_types::use_perd_xy = 3
integer, parameter, public	cell_types::use_perd_xz = 4
integer, parameter, public	cell_types::use_perd_yz = 5
integer, parameter, public	cell_types::use_perd_xyz = 6
integer, parameter, public	cell_types::use_perd_none = 7