atomes 1.1.16
atomes: an atomic scale modeling tool box
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sk.F90 File Reference

S(k) analysis: direct reciprocal space calculation. More...

Go to the source code of this file.

Functions/Subroutines

integer(kind=c_int) function s_of_k (nq, xa)
 
subroutine fourier_trans_steps ()
 
integer(kind=c_int) function smooth_and_save (dpoint, cts, sfc, idc, nqpts, dats)
 

Detailed Description

S(k) analysis: direct reciprocal space calculation.

Author
Sébastien Le Roux sebas.nosp@m.tien.nosp@m..lero.nosp@m.ux@i.nosp@m.pcms..nosp@m.unis.nosp@m.tra.f.nosp@m.r

Definition in file sk.F90.

Function/Subroutine Documentation

◆ fourier_trans_steps()

subroutine fourier_trans_steps

Definition at line 168 of file sk.F90.

◆ s_of_k()

integer (kind=c_int) function s_of_k ( integer (kind=c_int), intent(in) nq,
integer (kind=c_int), intent(in) xa )

Definition at line 21 of file sk.F90.

◆ smooth_and_save()

integer (kind=c_int) function smooth_and_save ( real (kind=c_double), dimension(nqpts), intent(in) dpoint,
real (kind=c_double), dimension(nqpts), intent(in) cts,
real (kind=c_double), intent(in) sfc,
integer (kind=c_int), intent(in) idc,
integer (kind=c_int), intent(in) nqpts,
integer (kind=c_int), intent(in) dats )

Definition at line 457 of file sk.F90.