atomes 1.1.14
atomes: an atomic scale modeling tool box
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S(q) analysis: Fourier transform calculation. More...
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Functions/Subroutines | |
integer(kind=c_int) function | s_of_q (qmax, qmin, nq) |
integer(kind=c_int) function | send_gr (ic, val, dr, rdata, gdata) |
integer (kind=c_int) function s_of_q | ( | real (kind=c_double), intent(in) | qmax, |
real (kind=c_double), intent(in) | qmin, | ||
integer (kind=c_int), intent(in) | nq ) |