atomes 1.1.14
atomes: an atomic scale modeling tool box
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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) |
integer (kind=c_int) function s_of_k | ( | integer (kind=c_int), intent(in) | nq, |
integer (kind=c_int), intent(in) | xa ) |
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 ) |