atomes 1.1.16
atomes: an atomic scale modeling tool box
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prepdata.F90 File Reference

First level analysis of atomic coordinates. More...

Go to the source code of this file.

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.