Octopus
simplex.F90 File Reference

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Modules

module  simplex_oct_m
 

Data Types

interface  simplex_oct_m::simplex_t
 
interface  simplex_oct_m::simplex_weights
 
interface  simplex_oct_m::simplex_dos
 

Functions/Subroutines

pure subroutine simplex_oct_m::simplex_sort_2 (values, idx)
 Sort two real values in ascending order while permuting indices. More...
 
pure subroutine simplex_oct_m::simplex_sort_3 (values, idx)
 Sort three real values in ascending order while permuting indices. More...
 
pure subroutine simplex_oct_m::simplex_sort_4 (values, idx)
 Sort four real values in ascending order while permuting indices. More...
 
pure subroutine simplex_oct_m::simplex_compare_swap (a, b, ia, ib)
 Swap two value-index pairs if they are out of ascending order. More...
 
type(simplex_t) function, pointer, public simplex_oct_m::simplex_init (dim, naxis, nshifts, shift, kpoints, equiv, opt)
 Constructor for linear simplex methods. More...
 
subroutine, public simplex_oct_m::simplex_end (this)
 Destructor for linear simplex methods. More...
 
subroutine simplex_oct_m::simplex_weights_single (rdim, esimplex, eF, weights, dos)
 Get the weights and DOS contribution of a single simplex. More...
 
subroutine simplex_oct_m::simplex_weights_array (rdim, esimplex, eFs, weights, dos)
 Get the weights and DOS contribution of a single simplex for multiple reference energies. More...
 
subroutine simplex_oct_m::simplex_dos_single (rdim, esimplex, eF, dos)
 Get only the DOS contribution of a single simplex. More...
 
subroutine simplex_oct_m::simplex_dos_array (rdim, esimplex, eFs, dos)
 Get only the DOS contribution of a single simplex for multiple reference energies. More...
 
subroutine simplex_oct_m::simplex_weights_1d (esegment, eFs, weights, dos)
 Get the weights and DOS contribution of a single segment. More...
 
subroutine simplex_oct_m::simplex_dos_1d (esegment, eFs, dos)
 Get only the DOS contribution of a single segment. More...
 
subroutine simplex_oct_m::simplex_weights_2d (etriangle, eFs, weights, dos)
 Get the weights and DOS contribution of a single tetrahedron. More...
 
subroutine simplex_oct_m::simplex_dos_2d (etriangle, eFs, dos)
 Get only the DOS contribution of a single triangle. More...
 
subroutine simplex_oct_m::simplex_weights_3d (etetra, eFs, weights, dos)
 Get the weights and DOS contribution of a single tetrahedron. More...
 
subroutine simplex_oct_m::simplex_dos_3d (etetra, eFs, dos)
 Get only the DOS contribution of a single tetrahedron. More...