CSM type. More...

Data Fields
logical	symlib = .FALSE.

logical	fullgrid = .FALSE.

logical	inversion_only = .FALSE.

logical	spglib_reduction = .FALSE.

logical	spglib_backend = .FALSE.

logical	spglib_requested = .TRUE.

integer	plevel = 0

integer	punit = -1

integer	istriz = -1

real(kind=dp)	delta = 1.0e-8_dp

real(kind=dp), dimension(3, 3)	hmat = 0.0_dp

real(kind=dp), dimension(3)	wvk0 = 0.0_dp

integer, dimension(3)	mesh = 0

integer	nkpoint = 0

integer	nat = 0

integer, dimension(:), allocatable	atype

real(kind=dp), dimension(:, :), allocatable	scoord

real(kind=dp), dimension(:, :), allocatable	xkpoint

real(kind=dp), dimension(:), allocatable	wkpoint

real(kind=dp), dimension(:, :), allocatable	kpmesh

integer, dimension(:, :), allocatable	kplink

integer, dimension(:), allocatable	kpop

character(len=11)	international_symbol = ""

character(len=6)	pointgroup_symbol = ""

character(len=10)	schoenflies = ""

integer	n_operations = 0

integer, dimension(:, :, :), allocatable	rotations

real(kind=dp), dimension(:, :), allocatable	translations

real(kind=dp), dimension(:, :, :), allocatable	rt

real(kind=dp), dimension(:, :), allocatable	vt

integer, dimension(:, :), allocatable	f0

integer	nrtot = 0

integer, dimension(:), allocatable	ibrot

Detailed Description

CSM type.

Content:

Definition at line 44 of file cryssym.F.

Field Documentation

◆ symlib

logical cryssym::csym_type::symlib = .FALSE.

Definition at line 45 of file cryssym.F.

◆ fullgrid

logical cryssym::csym_type::fullgrid = .FALSE.

Definition at line 46 of file cryssym.F.

◆ inversion_only

logical cryssym::csym_type::inversion_only = .FALSE.

Definition at line 47 of file cryssym.F.

◆ spglib_reduction

logical cryssym::csym_type::spglib_reduction = .FALSE.

Definition at line 48 of file cryssym.F.

◆ spglib_backend

logical cryssym::csym_type::spglib_backend = .FALSE.

Definition at line 49 of file cryssym.F.

◆ spglib_requested

logical cryssym::csym_type::spglib_requested = .TRUE.

Definition at line 50 of file cryssym.F.

◆ plevel

integer cryssym::csym_type::plevel = 0

Definition at line 51 of file cryssym.F.

◆ punit

integer cryssym::csym_type::punit = -1

Definition at line 52 of file cryssym.F.

◆ istriz

integer cryssym::csym_type::istriz = -1

Definition at line 53 of file cryssym.F.

◆ delta

real(kind=dp) cryssym::csym_type::delta = 1.0e-8_dp

Definition at line 54 of file cryssym.F.

◆ hmat

real(kind=dp), dimension(3, 3) cryssym::csym_type::hmat = 0.0_dp

Definition at line 55 of file cryssym.F.

◆ wvk0

real(kind=dp), dimension(3) cryssym::csym_type::wvk0 = 0.0_dp

Definition at line 57 of file cryssym.F.

◆ mesh

integer, dimension(3) cryssym::csym_type::mesh = 0

Definition at line 58 of file cryssym.F.

◆ nkpoint

integer cryssym::csym_type::nkpoint = 0

Definition at line 59 of file cryssym.F.

◆ nat

integer cryssym::csym_type::nat = 0

Definition at line 60 of file cryssym.F.

◆ atype

integer, dimension(:), allocatable cryssym::csym_type::atype

Definition at line 61 of file cryssym.F.

◆ scoord

real(kind=dp), dimension(:, :), allocatable cryssym::csym_type::scoord

Definition at line 62 of file cryssym.F.

◆ xkpoint

real(kind=dp), dimension(:, :), allocatable cryssym::csym_type::xkpoint

Definition at line 63 of file cryssym.F.

◆ wkpoint

real(kind=dp), dimension(:), allocatable cryssym::csym_type::wkpoint

Definition at line 64 of file cryssym.F.

◆ kpmesh

real(kind=dp), dimension(:, :), allocatable cryssym::csym_type::kpmesh

Definition at line 65 of file cryssym.F.

◆ kplink

integer, dimension(:, :), allocatable cryssym::csym_type::kplink

Definition at line 66 of file cryssym.F.

◆ kpop

integer, dimension(:), allocatable cryssym::csym_type::kpop

Definition at line 67 of file cryssym.F.

◆ international_symbol

character(len=11) cryssym::csym_type::international_symbol = ""

Definition at line 69 of file cryssym.F.

◆ pointgroup_symbol

character(len=6) cryssym::csym_type::pointgroup_symbol = ""

Definition at line 70 of file cryssym.F.

◆ schoenflies

character(len=10) cryssym::csym_type::schoenflies = ""

Definition at line 71 of file cryssym.F.

◆ n_operations

integer cryssym::csym_type::n_operations = 0

Definition at line 72 of file cryssym.F.

◆ rotations

integer, dimension(:, :, :), allocatable cryssym::csym_type::rotations

Definition at line 73 of file cryssym.F.

◆ translations

real(kind=dp), dimension(:, :), allocatable cryssym::csym_type::translations

Definition at line 74 of file cryssym.F.

◆ rt

real(kind=dp), dimension(:, :, :), allocatable cryssym::csym_type::rt

Definition at line 76 of file cryssym.F.

◆ vt

real(kind=dp), dimension(:, :), allocatable cryssym::csym_type::vt

Definition at line 77 of file cryssym.F.

◆ f0

integer, dimension(:, :), allocatable cryssym::csym_type::f0

Definition at line 78 of file cryssym.F.

◆ nrtot

integer cryssym::csym_type::nrtot = 0

Definition at line 79 of file cryssym.F.

◆ ibrot

integer, dimension(:), allocatable cryssym::csym_type::ibrot

Definition at line 80 of file cryssym.F.

The documentation for this type was generated from the following file:

cryssym.F

Data Fields