Octopus
symm_op_oct_m Module Reference

Data Types

interface  symm_op_apply_cart
 
interface  symm_op_apply_inv_cart
 
interface  symm_op_apply_inv_red
 
interface  symm_op_apply_red
 
interface  symm_op_apply_transpose_red
 
interface  symm_op_invariant_cart
 
interface  symm_op_invariant_red
 
type  symm_op_t
 

Functions/Subroutines

subroutine, public symm_op_init (this, rot, latt, dim, trans)
 
subroutine, public symm_op_build_cartesian (this, latt, dim)
 Computes the Cartesian rotation matrix and translation vectors from the reduced ones. More...
 
subroutine, public symm_op_copy (inp, outp)
 
logical pure function, public symm_op_has_translation (this, prec)
 
integer function, dimension(1:this%dim, 1:this%dim), public symm_op_rotation_matrix_red (this)
 
real(real64) function, dimension(1:this%dim, 1:this%dim), public symm_op_rotation_matrix_cart (this)
 
real(real64) function, dimension(1:this%dim), public symm_op_translation_vector_red (this)
 
real(real64) function, dimension(1:this%dim), public symm_op_translation_vector_cart (this)
 
logical pure function, public symm_op_is_identity (this)
 
pure integer function, dimension(1:this%dim) isymm_op_apply_red (this, aa)
 
integer function, dimension(1:this%dim) isymm_op_apply_inv_red (this, aa)
 
pure real(real64) function, dimension(1:this%dim) dsymm_op_apply_red (this, aa)
 
pure real(real64) function, dimension(1:this%dim) dsymm_op_apply_inv_red (this, aa)
 
pure real(real64) function, dimension(1:this%dim) dsymm_op_apply_transpose_red (this, aa)
 
pure real(real64) function, dimension(1:this%dim) dsymm_op_apply_cart (this, aa)
 
pure real(real64) function, dimension(1:this%dim) dsymm_op_apply_inv_cart (this, aa)
 
logical pure function dsymm_op_invariant_cart (this, aa, prec)
 
logical pure function dsymm_op_invariant_red (this, aa, prec)
 
pure complex(real64) function, dimension(1:this%dim) zsymm_op_apply_red (this, aa)
 
pure complex(real64) function, dimension(1:this%dim) zsymm_op_apply_inv_red (this, aa)
 
pure complex(real64) function, dimension(1:this%dim) zsymm_op_apply_transpose_red (this, aa)
 
pure complex(real64) function, dimension(1:this%dim) zsymm_op_apply_cart (this, aa)
 
pure complex(real64) function, dimension(1:this%dim) zsymm_op_apply_inv_cart (this, aa)
 
logical pure function zsymm_op_invariant_cart (this, aa, prec)
 
logical pure function zsymm_op_invariant_red (this, aa, prec)
 

Function/Subroutine Documentation

◆ symm_op_init()

subroutine, public symm_op_oct_m::symm_op_init ( type(symm_op_t), intent(out)  this,
integer, dimension(:, :), intent(in)  rot,
type(lattice_vectors_t), intent(in)  latt,
integer, intent(in)  dim,
real(real64), dimension(:), intent(in), optional  trans 
)

Definition at line 185 of file symm_op.F90.

◆ symm_op_build_cartesian()

subroutine, public symm_op_oct_m::symm_op_build_cartesian ( type(symm_op_t), intent(inout)  this,
type(lattice_vectors_t), intent(in)  latt,
integer, intent(in)  dim 
)

Computes the Cartesian rotation matrix and translation vectors from the reduced ones.

Definition at line 234 of file symm_op.F90.

◆ symm_op_copy()

subroutine, public symm_op_oct_m::symm_op_copy ( type(symm_op_t), intent(in)  inp,
type(symm_op_t), intent(out)  outp 
)

Definition at line 271 of file symm_op.F90.

◆ symm_op_has_translation()

logical pure function, public symm_op_oct_m::symm_op_has_translation ( type(symm_op_t), intent(in)  this,
real(real64), intent(in)  prec 
)

Definition at line 288 of file symm_op.F90.

◆ symm_op_rotation_matrix_red()

integer function, dimension(1:this%dim, 1:this%dim), public symm_op_oct_m::symm_op_rotation_matrix_red ( type(symm_op_t), intent(in)  this)

Definition at line 298 of file symm_op.F90.

◆ symm_op_rotation_matrix_cart()

real(real64) function, dimension(1:this%dim, 1:this%dim), public symm_op_oct_m::symm_op_rotation_matrix_cart ( type(symm_op_t), intent(in)  this)

Definition at line 308 of file symm_op.F90.

◆ symm_op_translation_vector_red()

real(real64) function, dimension(1:this%dim), public symm_op_oct_m::symm_op_translation_vector_red ( type(symm_op_t), intent(in)  this)

Definition at line 319 of file symm_op.F90.

◆ symm_op_translation_vector_cart()

real(real64) function, dimension(1:this%dim), public symm_op_oct_m::symm_op_translation_vector_cart ( type(symm_op_t), intent(in)  this)

Definition at line 329 of file symm_op.F90.

◆ symm_op_is_identity()

logical pure function, public symm_op_oct_m::symm_op_is_identity ( type(symm_op_t), intent(in)  this)

Definition at line 339 of file symm_op.F90.

◆ isymm_op_apply_red()

pure integer function, dimension(1:this%dim) symm_op_oct_m::isymm_op_apply_red ( type(symm_op_t), intent(in)  this,
integer, dimension(:), intent(in)  aa 
)
private
Parameters
[in]aa(3)

Definition at line 352 of file symm_op.F90.

◆ isymm_op_apply_inv_red()

integer function, dimension(1:this%dim) symm_op_oct_m::isymm_op_apply_inv_red ( type(symm_op_t), intent(in)  this,
integer, dimension(:), intent(in)  aa 
)
private
Parameters
[in]aa(3)

Definition at line 363 of file symm_op.F90.

◆ dsymm_op_apply_red()

pure real(real64) function, dimension(1:this%dim) symm_op_oct_m::dsymm_op_apply_red ( type(symm_op_t), intent(in)  this,
real(real64), dimension(:), intent(in)  aa 
)
private
Parameters
[in]aa(thisdim)

Definition at line 440 of file symm_op.F90.

◆ dsymm_op_apply_inv_red()

pure real(real64) function, dimension(1:this%dim) symm_op_oct_m::dsymm_op_apply_inv_red ( type(symm_op_t), intent(in)  this,
real(real64), dimension(:), intent(in)  aa 
)
private
Parameters
[in]aa(thisdim)

Definition at line 451 of file symm_op.F90.

◆ dsymm_op_apply_transpose_red()

pure real(real64) function, dimension(1:this%dim) symm_op_oct_m::dsymm_op_apply_transpose_red ( type(symm_op_t), intent(in)  this,
real(real64), dimension(:), intent(in)  aa 
)
private
Parameters
[in]aa(thisdim)

Definition at line 463 of file symm_op.F90.

◆ dsymm_op_apply_cart()

pure real(real64) function, dimension(1:this%dim) symm_op_oct_m::dsymm_op_apply_cart ( type(symm_op_t), intent(in)  this,
real(real64), dimension(:), intent(in)  aa 
)
private
Parameters
[in]aa(thisdim)

Definition at line 474 of file symm_op.F90.

◆ dsymm_op_apply_inv_cart()

pure real(real64) function, dimension(1:this%dim) symm_op_oct_m::dsymm_op_apply_inv_cart ( type(symm_op_t), intent(in)  this,
real(real64), dimension(:), intent(in)  aa 
)
private
Parameters
[in]aa(thisdim)

Definition at line 485 of file symm_op.F90.

◆ dsymm_op_invariant_cart()

logical pure function symm_op_oct_m::dsymm_op_invariant_cart ( type(symm_op_t), intent(in)  this,
real(real64), dimension(:), intent(in)  aa,
real(real64), intent(in)  prec 
)
private

Definition at line 496 of file symm_op.F90.

◆ dsymm_op_invariant_red()

logical pure function symm_op_oct_m::dsymm_op_invariant_red ( type(symm_op_t), intent(in)  this,
real(real64), dimension(:), intent(in)  aa,
real(real64), intent(in)  prec 
)
private

Definition at line 509 of file symm_op.F90.

◆ zsymm_op_apply_red()

pure complex(real64) function, dimension(1:this%dim) symm_op_oct_m::zsymm_op_apply_red ( type(symm_op_t), intent(in)  this,
complex(real64), dimension(:), intent(in)  aa 
)
private
Parameters
[in]aa(thisdim)

Definition at line 595 of file symm_op.F90.

◆ zsymm_op_apply_inv_red()

pure complex(real64) function, dimension(1:this%dim) symm_op_oct_m::zsymm_op_apply_inv_red ( type(symm_op_t), intent(in)  this,
complex(real64), dimension(:), intent(in)  aa 
)
private
Parameters
[in]aa(thisdim)

Definition at line 606 of file symm_op.F90.

◆ zsymm_op_apply_transpose_red()

pure complex(real64) function, dimension(1:this%dim) symm_op_oct_m::zsymm_op_apply_transpose_red ( type(symm_op_t), intent(in)  this,
complex(real64), dimension(:), intent(in)  aa 
)
private
Parameters
[in]aa(thisdim)

Definition at line 618 of file symm_op.F90.

◆ zsymm_op_apply_cart()

pure complex(real64) function, dimension(1:this%dim) symm_op_oct_m::zsymm_op_apply_cart ( type(symm_op_t), intent(in)  this,
complex(real64), dimension(:), intent(in)  aa 
)
private
Parameters
[in]aa(thisdim)

Definition at line 629 of file symm_op.F90.

◆ zsymm_op_apply_inv_cart()

pure complex(real64) function, dimension(1:this%dim) symm_op_oct_m::zsymm_op_apply_inv_cart ( type(symm_op_t), intent(in)  this,
complex(real64), dimension(:), intent(in)  aa 
)
private
Parameters
[in]aa(thisdim)

Definition at line 640 of file symm_op.F90.

◆ zsymm_op_invariant_cart()

logical pure function symm_op_oct_m::zsymm_op_invariant_cart ( type(symm_op_t), intent(in)  this,
complex(real64), dimension(:), intent(in)  aa,
real(real64), intent(in)  prec 
)
private

Definition at line 651 of file symm_op.F90.

◆ zsymm_op_invariant_red()

logical pure function symm_op_oct_m::zsymm_op_invariant_red ( type(symm_op_t), intent(in)  this,
complex(real64), dimension(:), intent(in)  aa,
real(real64), intent(in)  prec 
)
private

Definition at line 664 of file symm_op.F90.