atomes 1.1.14
atomes: an atomic scale modeling tool box
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Distance matrix calculation. More...
Go to the source code of this file.
Functions/Subroutines | |
subroutine | print_this_pixel (tps, tpix, pixl, pix, atoms) |
subroutine | set_shift (shift, ai, bi, ci, npa, npb, npc) |
integer function | getnbx (np, nps) |
logical function | distmtx (nan, lan, lookngb, upngb) |
subroutine | pixout (pix) |
subroutine | toomuch (ati) |
integer(kind=c_int) function | rundmtx (prings, vnohp, vup) |
Distance matrix calculation.
Definition in file dmtx.F90.
logical function distmtx | ( | integer, intent(in) | nan, |
integer, dimension(nan), intent(in) | lan, | ||
logical, intent(in) | lookngb, | ||
logical, intent(in) | upngb ) |
integer function getnbx | ( | integer, intent(in) | np, |
integer, intent(in) | nps ) |
integer (kind=c_int) function rundmtx | ( | integer (kind=c_int), intent(in) | prings, |
integer (kind=c_int), intent(in) | vnohp, | ||
integer (kind=c_int), intent(in) | vup ) |
subroutine set_shift | ( | integer, dimension(3,3,3), intent(inout) | shift, |
integer, intent(in) | ai, | ||
integer, intent(in) | bi, | ||
integer, intent(in) | ci, | ||
integer, intent(in) | npa, | ||
integer, intent(in) | npb, | ||
integer, intent(in) | npc ) |