dmtx.F90 File Reference

Distance matrix calculation. More...

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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)

Detailed Description

Distance matrix 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 dmtx.F90.

Function/Subroutine Documentation

distmtx()

logical function distmtx	(	integer, intent(in)	nan,
		integer, dimension(nan), intent(in)	lan,
		logical, intent(in)	lookngb,
		logical, intent(in)	upngb )

Definition at line 337 of file dmtx.F90.

getnbx()

integer function getnbx	(	integer, intent(in)	np,
		integer, intent(in)	nps )

Definition at line 120 of file dmtx.F90.

pixout()

subroutine pixout

(

integer, intent(in)

pix

)

Definition at line 1542 of file dmtx.F90.

print_this_pixel()

subroutine print_this_pixel	(	integer, intent(in)	tps,
		type (pixel), dimension(tps), intent(in)	tpix,
		type (pixel), intent(in)	pixl,
		integer, intent(in)	pix,
		logical, intent(in)	atoms )

Definition at line 21 of file dmtx.F90.

rundmtx()

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 )

Definition at line 1571 of file dmtx.F90.

set_shift()

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 )

Definition at line 52 of file dmtx.F90.

toomuch()

subroutine toomuch

(

integer, intent(in)

ati

)

Definition at line 1555 of file dmtx.F90.