First level analysis of atomic coordinates. More...

Functions/Subroutines
integer(kind=c_int) function	alloc_data (n1, n2, n3)

subroutine	prep_spec (idatoms, nsps, open_apf)

subroutine	read_chem (pmass, prad, pnscatt, pxscatt)

subroutine	read_data (plot, pbs)

subroutine	read_pos (pcx, pcy, pcz)

integer function	send_pos (npa, nps, nlot, postab)

integer(kind=c_int) function	prep_data ()

integer function	findid (nameat)

real(kind=c_double) function	set_mass (sw)

real(kind=c_double) function	set_radius (sw, rd)

real(kind=c_double) function	set_neutron (sw)

subroutine	prep_pos (pinfo, finfo)

Detailed Description

First level analysis of atomic coordinates.

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 prepdata.F90.

Function/Subroutine Documentation

◆ alloc_data()

integer (kind=c_int) function alloc_data	(	integer (kind=c_int), intent(in)	n1,
		integer (kind=c_int), intent(in)	n2,
		integer (kind=c_int), intent(in)	n3 )

Definition at line 25 of file prepdata.F90.

◆ findid()

integer function findid ( character (len=2), intent(in) nameat )

Definition at line 358 of file prepdata.F90.

◆ prep_data()

integer (kind=c_int) function prep_data

Definition at line 212 of file prepdata.F90.

◆ prep_pos()

subroutine prep_pos	(	integer (kind=c_int), intent(in)	pinfo,
		integer (kind=c_int), intent(in)	finfo )

Definition at line 439 of file prepdata.F90.

◆ prep_spec()

subroutine prep_spec	(	real (kind=c_double), dimension(nsp), intent(in)	idatoms,
		integer (kind=c_int), dimension(nsp), intent(in)	nsps,
		integer (kind=c_int), intent(in)	open_apf )

Definition at line 64 of file prepdata.F90.

◆ read_chem()

subroutine read_chem	(	real (kind=c_double), dimension(nsp)	pmass,
		real (kind=c_double), dimension(nsp)	prad,
		real (kind=c_double), dimension(nsp)	pnscatt,
		real (kind=c_double), dimension(nsp)	pxscatt )

Definition at line 101 of file prepdata.F90.

◆ read_data()

subroutine read_data	(	integer (kind=c_int), dimension(na), intent(in)	plot,
		integer (kind=c_int), dimension(nsp), intent(in)	pbs )

Definition at line 118 of file prepdata.F90.

◆ read_pos()

subroutine read_pos	(	real (kind=c_double), dimension(na*ns), intent(in)	pcx,
		real (kind=c_double), dimension(na*ns), intent(in)	pcy,
		real (kind=c_double), dimension(na*ns), intent(in)	pcz )

Definition at line 138 of file prepdata.F90.

◆ send_pos()

integer function send_pos	(	integer, intent(in)	npa,
		integer, intent(in)	nps,
		integer, dimension(:), intent(in)	nlot,
		double precision, dimension(:,:,:), intent(in)	postab )

Definition at line 156 of file prepdata.F90.

◆ set_mass()

real (kind=c_double) function set_mass ( integer (kind=c_int), intent(in) sw )

Definition at line 385 of file prepdata.F90.

◆ set_neutron()

real (kind=c_double) function set_neutron ( integer (kind=c_int), intent(in) sw )

Definition at line 421 of file prepdata.F90.

◆ set_radius()

real (kind=c_double) function set_radius	(	integer (kind=c_int), intent(in)	sw,
		integer (kind=c_int), intent(in)	rd )

Definition at line 396 of file prepdata.F90.

Functions/Subroutines