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calltarget.f90
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PROGRAM CALLTARGET
USE DDPRECISION,ONLY : WP
USE DDCOMMON_1,ONLY : DX
USE DDCOMMON_6,ONLY : GAMMA,PYD,PZD,MXNATF,MXNXF,MXNYF,MXNZF,NAT,NAT3, &
NAT0,NX,NY,NZ,MXN3F,IDVOUT,IPBC
IMPLICIT NONE
! Program CALLTARGET is used to generate target arrays using target
! generation routines employed by DDSCAT.
! B.T.Draine, Princeton Univ. Obs., 91/1/1
! History:
! 91.05.24 (BTD): Modified to allow entry target names in lower case
! 91.07.16 (BTD): Replaced DO...ENDDO with DO #...# CONTINUE
! 92.12.16 (BTD): Added IDVSHP to argument list of TARGET
! 93.01.07 (BTD): Added options TWOELL and TWOAEL
! 94.05.15 (BTD): Added option CONELL
! 95.12.11 (BTD): Added option BLOCKS
! 96.01.04 (BTD): Added option DW1996
! 96.01.25 (BTD): Added option TWOSPH
! 96.01.26 (BTD): Replaced IX,IY,IZ by IXYZ here and in TARGET
! Added calls to SIZER
! 96.01.29 (BTD): Support selection of principal axis calculation
! in TAR2SP via SHPAR(6)
! 97.04.25 (BTD): Added option BLK_AN
! 97.04.30 (BTD): Removed code offering choice on target axis for
! HEXGON option (target axis now hardwired within
! TARHEX)
! 00.06.12 (BTD): Added option NSPHER
! 02.02.13 (BTD): Added option PRISM3
! 02.11.12 (BTD): Added option SPHARM
! 03.11.06 (BTD): Modified to input parameters to generate random
! SPHARM target
! Added DX(3) to argument list of TARGET
! 03.11.08 (BTD): Added option GSPHER
! 04.03.31 (BTD): Replaced all WRITE(0, with WRITE(IDVOUT,
! 04.04.01 (BTD): Added NPY,NPZ to argument list of TARGET,
! so we can use new version of TARGET that supports
! periodic boundary conditions
! 04.10.02 (BTD): Declared BETADF,PHIDF,THETADF
! Added BETADF,PHIDF,THETADF to argument list of
! subroutine TARGET
! 04.10.19 (BTD): Modified to allow repeated trials of different
! SHPAR(1) for NSPHER and NANSPH options
! 05.06.16 (BTD): Replaced integer NPY,NPZ by real PYD,PZD in
! argument list of TARGET
! 06.09.13 (BTD): Added option CYLCAP
! 06.09.15 (BTD): Modified option HEXGON to allow orientation to
! be changed.
! 06.12.08 (BTD): Modified to support PBXPBC option
! 08.08.30 (BTD): Added IANISO to argument list of TARGET
! 08.08.31 (BTD): Added options including BISLINPBC
! 08.09.12 (BTD): Correcte typos DSKRCTGNL -> DSKRCTNGL
! 09.09.22 (BTD): Added NCOMP_NEED to argument list in each call to
! TARGET
! 10.02.06 (BTD): Added support for options
! * CYLNDRPBC
! * HEXGONPBC
! * LYRSLBPBC
! * RCTGL_PBC
! * SLAB_HOLE
! * SLBHOLPBC
! * SPHRN_PBC
! * TRILYRPBC
! end history
!
! Copyright (C) 1993,1994,1995,1996,1997,2000,2002,2003,2004,2005
! 2006,2008,2009,2010 B.T. Draine and P.J. Flatau
! This code is covered by the GNU General Public License.
!***********************************************************************
!
! Adjustable parameters:
! MXNAT=max.number of dipoles in target
!
INTEGER :: MXN3,MXNAT
! Arguments of TARGET:
CHARACTER :: CDESCR*67,CFLSHP*80,CSHAPE*9
INTEGER*2,ALLOCATABLE :: &
& ICOMP(:,:)
INTEGER,ALLOCATABLE :: &
& IXYZ(:,:)
INTEGER :: IANISO,IDVSHP,IOSHP
REAL(WP) :: &
A1(3), &
A2(3), &
SHPAR(12), &
X0(3)
REAL(WP),ALLOCATABLE :: &
BETADF(:), &
PHIDF(:), &
THETADF(:)
! Local variables:
INTEGER :: J,JJ,NCOMP_NEED
INTEGER :: LXYZ(3)
REAL(WP) :: ERR,F,PI,RGYR2,RXY,RXZ,RYX,RYZ,RZX,RZY, &
X,XCM,Y,YCM,Z,ZCM
REAL(WP) :: DDX,DDY,DDZ,X2,Y2,Z2
!***********************************************************************
DATA IOSHP/15/
MXNAT=2000000
MXN3=3*MXNAT
ALLOCATE(IXYZ(MXNAT,3))
ALLOCATE(ICOMP(MXNAT,3))
ALLOCATE(BETADF(MXNAT))
ALLOCATE(PHIDF(MXNAT))
ALLOCATE(THETADF(MXNAT))
PI=4.*ATAN(1.)
! Define variables CFLSHP and IDVSHP:
CFLSHP='none'
IDVSHP=10
1000 WRITE(IDVOUT,*)'What shape? (Enter choice in quotes) Choices:'
WRITE(IDVOUT,*)' ANIELLIPS = anisotropic ellipsoid'
WRITE(IDVOUT,*)' ANI_ELL_2 = 2 touching identical anisotropic ', &
'ellipsoids'
WRITE(IDVOUT,*)' ANI_ELL_3 = 3 touching identical anisotropic ', &
'ellipsoids'
WRITE(IDVOUT,*)' ANIRCTNGL = anisotropic rectangular solid'
WRITE(IDVOUT,*)' CONELLIPS = 2 concentric ellipsoids'
WRITE(IDVOUT,*)' CYLINDER1 = homogenous, isotropic cylinder'
WRITE(IDVOUT,*)' CYLNDRCAP = homogenous, isotropic cylinder with ', &
'hemispherical endcaps'
WRITE(IDVOUT,*)' DSKRCTNGL = disk on homogeneous rectangular block'
WRITE(IDVOUT,*)' DW1996TAR = 13 cube target used by Draine & ', &
'Weingartner (1996)'
WRITE(IDVOUT,*)' ELLIPSOID = homogenous, isotropic ellipsoid'
WRITE(IDVOUT,FMT='(A,A)')' ELLIPSO_2 = 2 touching ellipsoids; 2nd ', &
'ellipsoid displaced from 1st in x-direction'
WRITE(IDVOUT,FMT='(A,A)')' ELLIPSO_3 = 3 touching ellipsoids; 2nd ', &
'ellipsoid displaced from 1st in +x-direction,'
WRITE(IDVOUT,*)' 3rd displaced from 2nd in +x-direction'
! WRITE(IDVOUT,*)' GAUSS_SPH = gaussian sphere target'
WRITE(IDVOUT,*)' HEX_PRISM = hexagonal prism'
WRITE(IDVOUT,FMT='(A,A)')' MLTBLOCKS = construct from cubic blocks', &
' input from file "blocks.par"'
WRITE(IDVOUT,*)' RCTGLPRSM = rectangular prism'
WRITE(IDVOUT,*)' RCTGLBLK3 = stack of 3 rectangular blocks'
WRITE(IDVOUT,*)' SLAB_HOLE = rect. block with cylindrical hole'
WRITE(IDVOUT,*)' SPHERES_N = union of N spheres'
WRITE(IDVOUT,*)' SPHROID_2 = 2 touching spheroids (with angle ', &
'phi between symm. axes)'
WRITE(IDVOUT,*)' SPH_ANI_N = N-spheres of anisotropic materials'
WRITE(IDVOUT,*)' TETRAHDRN = regular tetrahedron'
WRITE(IDVOUT,*)' TRNGLPRSM = triangular prism'
!---------------------- PBC target options start here ---------------------
WRITE(IDVOUT,*)' BISLINPBC = bilayer slab with parallel lines (one TUC)'
WRITE(IDVOUT,*)' CYLNDRPBC = circular slice (TUC for infinite cylinder)'
WRITE(IDVOUT,*)' DSKBLYPBC = disk on bilayer slab (one TUC)'
WRITE(IDVOUT,*)' DSKRCTPBC = disk on slab (one TUC)'
WRITE(IDVOUT,*)' HEXGONPBC = hexagonal slab (one TUC)'
WRITE(IDVOUT,*)' LYRSLBPBC = rect. block with 2,3, or 4 layers (one TUC)'
WRITE(IDVOUT,*)' RECRECPBC = 2 stacked blocks (one TUC)'
WRITE(IDVOUT,*)' RCTGL_PBC = 1 block (one TUC)'
WRITE(IDVOUT,*)' SLBHOLPBC = block with cylindrical hole (one TUC)'
WRITE(IDVOUT,*)' SPHRN_PBC = N possibly anisotropic spheres (one TUC)'
WRITE(IDVOUT,*)' TRILYRPBC = 3 stacked rect. blocks (one TUC)'
! at this time, restrict to cubic lattice:
DX(1)=1.
DX(2)=1.
DX(3)=1.
READ(*,*)CSHAPE
!-----------------------------------------------------------------------
IF(CSHAPE=='ANIELLIPS'.OR.CSHAPE=='aniellips')THEN
CSHAPE='ANIELLIPS'
DO J=1,100
WRITE(IDVOUT,*)'Enter x-length/d, y-length/d, z-length/d ', &
'(0 0 0 to stop)'
READ(*,*)SHPAR(1),SHPAR(2),SHPAR(3)
IF(SHPAR(1).LE.0.)STOP
CALL TARGET(A1,A2,CSHAPE,CFLSHP,IDVSHP,IOSHP,CDESCR,MXNAT, &
SHPAR,DX,NAT,IXYZ,ICOMP,IDVOUT, &
MXN3,NAT3,PYD,PZD,BETADF,PHIDF,THETADF,X0, &
IANISO,NCOMP_NEED)
CALL SIZER(MXNAT,NAT,IXYZ,LXYZ)
WRITE(IDVOUT,7003)SHPAR(1),SHPAR(2),SHPAR(3),NAT
ENDDO
STOP
!-----------------------------------------------------------------------
ELSEIF(CSHAPE=='ANI_ELL_2'.OR.CSHAPE=='ani_ell_2')THEN
CSHAPE='ANI_ELL_2'
DO J=1,100
WRITE(IDVOUT,*)'Enter length of one ellipsoid in x, y, z', &
' directions (0 0 0 to stop)'
READ(*,*)SHPAR(1),SHPAR(2),SHPAR(3)
IF(SHPAR(1).LE.0)STOP
CALL TARGET(A1,A2,CSHAPE,CFLSHP,IDVSHP,IOSHP,CDESCR,MXNAT, &
SHPAR,DX,NAT,IXYZ,ICOMP,IDVOUT, &
MXN3,NAT3,PYD,PZD,BETADF,PHIDF,THETADF,X0, &
IANISO,NCOMP_NEED)
CALL SIZER(MXNAT,NAT,IXYZ,LXYZ)
WRITE(IDVOUT,7003)(SHPAR(JJ),JJ=1,3),NAT
ENDDO
STOP
!-----------------------------------------------------------------------
ELSEIF(CSHAPE=='ANI_ELL_3'.OR.CSHAPE=='ani_ell_3')THEN
CSHAPE='ANI_ELL_3'
DO J=1,100
WRITE(IDVOUT,*)'Enter length of one ellipsoid in x, y, z', &
' directions (0 0 0 to stop)'
READ(*,*)SHPAR(1),SHPAR(2),SHPAR(3)
IF(SHPAR(1).LE.0)STOP
CALL TARGET(A1,A2,CSHAPE,CFLSHP,IDVSHP,IOSHP,CDESCR,MXNAT, &
SHPAR,DX,NAT,IXYZ,ICOMP,IDVOUT, &
MXN3,NAT3,PYD,PZD,BETADF,PHIDF,THETADF,X0, &
IANISO,NCOMP_NEED)
CALL SIZER(MXNAT,NAT,IXYZ,LXYZ)
WRITE(IDVOUT,7003)(SHPAR(JJ),JJ=1,3),NAT
ENDDO
STOP
!-----------------------------------------------------------------------
ELSEIF(CSHAPE=='ANIRCTNGL'.OR.CSHAPE=='anirctngl')THEN
CSHAPE='ANIRCTNGL'
DO J=1,100
WRITE(IDVOUT,*)'Enter length/d in x, y, z', &
' directions (0 0 0 to stop)'
READ(*,*)SHPAR(1),SHPAR(2),SHPAR(3)
IF(SHPAR(1).LE.0)STOP
CALL TARGET(A1,A2,CSHAPE,CFLSHP,IDVSHP,IOSHP,CDESCR,MXNAT, &
SHPAR,DX,NAT,IXYZ,ICOMP,IDVOUT, &
MXN3,NAT3,PYD,PZD,BETADF,PHIDF,THETADF,X0, &
IANISO,NCOMP_NEED)
CALL SIZER(MXNAT,NAT,IXYZ,LXYZ)
WRITE(IDVOUT,7003)(SHPAR(JJ),JJ=1,3),NAT
ENDDO
STOP
!-----------------------------------------------------------------------
ELSEIF(CSHAPE=='BISLINPBC'.OR.CSHAPE=='bislinpbc')THEN
CSHAPE='BISLINPBC'
WRITE(IDVOUT,*)'TUC for bilayer slab with parallel line on top'
DO J=1,100
WRITE(IDVOUT,*)'Enter x-thickness/d of line (0 to stop)'
READ(*,*)SHPAR(1)
IF(SHPAR(1).LE.0)STOP
WRITE(IDVOUT,*)'Enter y-width/d of line'
READ(*,*)SHPAR(2)
WRITE(IDVOUT,*)'Enter x-thickness/d of upper layer'
READ(*,*)SHPAR(3)
WRITE(IDVOUT,*)'Enter x-thickness/d of lower layer'
READ(*,*)SHPAR(4)
WRITE(IDVOUT,*)'Enter L_y/d dimension of slab'
READ(*,*)SHPAR(5)
SHPAR(6)=0 ! P_y/d
CALL TARGET(A1,A2,CSHAPE,CFLSHP,IDVSHP,IOSHP,CDESCR,MXNAT, &
SHPAR,DX,NAT,IXYZ,ICOMP,IDVOUT, &
MXN3,NAT3,PYD,PZD,BETADF,PHIDF,THETADF,X0, &
IANISO,NCOMP_NEED)
CALL SIZER(MXNAT,NAT,IXYZ,LXYZ)
WRITE(IDVOUT,7003)(SHPAR(JJ),JJ=1,3),NAT
ENDDO
STOP
!-----------------------------------------------------------------------
ELSEIF(CSHAPE=='CONELLIPS'.OR.CSHAPE=='conellips')THEN
CSHAPE='CONELLIPS'
DO J=1,100
WRITE(IDVOUT,*)'Enter length of outer ellipsoid (icomp=2) ', &
'in x,y,z directions (lattice units) (0 0 0', &
' to stop)'
READ(*,*)SHPAR(1),SHPAR(2),SHPAR(3)
IF(SHPAR(1).LE.0)STOP
WRITE(IDVOUT,*)'Enter length of inner ellipsoid (icomp=1) ', &
'in x,y,z directions (lattice units)'
READ(*,*)SHPAR(4),SHPAR(5),SHPAR(6)
IF(SHPAR(4).LE.SHPAR(1).AND. &
SHPAR(5).LE.SHPAR(2).AND. &
SHPAR(6).LE.SHPAR(3))THEN
CALL TARGET(A1,A2,CSHAPE,CFLSHP,IDVSHP,IOSHP,CDESCR, &
MXNAT,SHPAR,DX,NAT,IXYZ,ICOMP,IDVOUT, &
MXN3,NAT3,PYD,PZD,BETADF,PHIDF,THETADF,X0, &
IANISO,NCOMP_NEED)
CALL SIZER(MXNAT,NAT,IXYZ,LXYZ)
WRITE(IDVOUT,7006)(SHPAR(JJ),JJ=1,6),NAT
ELSE
WRITE(IDVOUT,*)'Input error: inner ellipsoid is not ', &
'contained within outer ellipsoid'
ENDIF
ENDDO
STOP
!-----------------------------------------------------------------------
ELSEIF(CSHAPE=='CYLINDER1'.OR.CSHAPE=='cylinder1')THEN
CSHAPE='CYLINDER1'
DO J=1,100
WRITE(IDVOUT,*)'Enter cylinder length (0 to stop)'
READ(*,*)SHPAR(1)
IF(SHPAR(1).LE.0.)STOP
WRITE(IDVOUT,*)'Enter cylinder diameter'
READ(*,*)SHPAR(2)
SHPAR(3)=1 ! 1 for cylinder axis in x direction
CALL TARGET(A1,A2,CSHAPE,CFLSHP,IDVSHP,IOSHP,CDESCR,MXNAT, &
SHPAR,DX,NAT,IXYZ,ICOMP,IDVOUT, &
MXN3,NAT3,PYD,PZD,BETADF,PHIDF,THETADF,X0, &
IANISO,NCOMP_NEED)
CALL SIZER(MXNAT,NAT,IXYZ,LXYZ)
WRITE(IDVOUT,7002)SHPAR(1),SHPAR(2),NAT
ENDDO
STOP
!-----------------------------------------------------------------------
ELSEIF(CSHAPE=='CYLNDRCAP'.OR.CSHAPE=='cylndrcap')THEN
CSHAPE='CYLNDRCAP'
WRITE(IDVOUT,*)' CYLNDRCAP: cylinder with hemispherical endcaps'
DO J=1,100
WRITE(IDVOUT,*)'Enter cylinder length (not including ', &
'end-caps) (0 to stop)'
READ(*,*)SHPAR(1)
IF(SHPAR(1).LE.0.)STOP
WRITE(IDVOUT,*)'Enter cylinder diameter'
READ(*,*)SHPAR(2)
CALL TARGET(A1,A2,CSHAPE,CFLSHP,IDVSHP,IOSHP,CDESCR,MXNAT, &
SHPAR,DX,NAT,IXYZ,ICOMP,IDVOUT, &
MXN3,NAT3,PYD,PZD,BETADF,PHIDF,THETADF,X0, &
IANISO,NCOMP_NEED)
CALL SIZER(MXNAT,NAT,IXYZ,LXYZ)
WRITE(IDVOUT,7002)SHPAR(1),SHPAR(2),NAT
ENDDO
STOP
!-----------------------------------------------------------------------
ELSEIF(CSHAPE=='CYLNDRPBC'.OR.CSHAPE=='cylndrpbc')THEN
CSHAPE='CYLNDRPBC'
WRITE(IDVOUT,*)' CYLNDRPBC: TUC for infinite cylinder'
DO J=1,100
WRITE(IDVOUT,*)'Enter cylinder length/d (normally 1)', &
'(0 to stop)'
READ(*,*)SHPAR(1)
IF(SHPAR(1).LE.0.)STOP
WRITE(IDVOUT,*)'Enter cylinder diameter/d'
READ(*,*)SHPAR(2)
WRITE(0,*)'Enter 1 for cylinder axis || x_TF'
WRITE(0,*)' 2 for cylinder axis || y_TF'
WRITE(0,*)' 3 for cylinder axis || z_TF'
READ(*,*)SHPAR(3)
SHPAR(4)=0 ! P_y/d
SHPAR(5)=0 ! P_z/d
CALL TARGET(A1,A2,CSHAPE,CFLSHP,IDVSHP,IOSHP,CDESCR,MXNAT, &
SHPAR,DX,NAT,IXYZ,ICOMP,IDVOUT, &
MXN3,NAT3,PYD,PZD,BETADF,PHIDF,THETADF,X0, &
IANISO,NCOMP_NEED)
CALL SIZER(MXNAT,NAT,IXYZ,LXYZ)
WRITE(IDVOUT,7005)SHPAR(1),SHPAR(2),SHPAR(3), &
SHPAR(4),SHPAR(5),NAT
ENDDO
STOP
!-----------------------------------------------------------------------
ELSEIF(CSHAPE=='DSKBLYPBC'.OR.CSHAPE=='dskblypbc')THEN
CSHAPE='DSKBLYPBC'
WRITE(IDVOUT,*)'TUC for array of (disk on top of bilayer slab)'
WRITE(IDVOUT,*)'With disk (comp. 1) located on x=0 surface'
WRITE(IDVOUT,*)'Enter disk thickness/d and diameter/d (0 0 to stop)'
READ(*,*)SHPAR(1),SHPAR(2)
WRITE(IDVOUT,*)'Enter thickness/d of upper layer of slab (comp. 2)'
READ(*,*)SHPAR(3)
WRITE(IDVOUT,*)'Enter thickness/d of lower layer of slab (comp. 3)'
READ(*,*)SHPAR(4)
WRITE(IDVOUT,*)'Enter slab extent Ly/d Lz/d'
READ(*,*)SHPAR(5),SHPAR(6)
SHPAR(7)=0._WP ! P_y/d
SHPAR(8)=0._WP ! P_z/d
CALL TARGET(A1,A2,CSHAPE,CFLSHP,IDVSHP,IOSHP,CDESCR,MXNAT, &
SHPAR,DX,NAT,IXYZ,ICOMP,IDVOUT, &
MXN3,NAT3,PYD,PZD,BETADF,PHIDF,THETADF,X0, &
IANISO,NCOMP_NEED)
CALL SIZER(MXNAT,NAT,IXYZ,LXYZ)
STOP
!-----------------------------------------------------------------------
ELSEIF(CSHAPE=='DSKRCTNGL'.OR.CSHAPE=='dskrctngl')THEN
CSHAPE='DSKRCTNGL'
WRITE(IDVOUT,*)'Rectangular slab with dimension Lx x Ly x Lz'
WRITE(IDVOUT,*)'With disk located on x=0 surface'
WRITE(IDVOUT,*)'Enter disk thickness/d and diameter/d'
READ(*,*)SHPAR(1),SHPAR(2)
WRITE(IDVOUT,*)'Enter Lx/d Ly/d Lz/d'
READ(*,*)SHPAR(3),SHPAR(4),SHPAR(5)
CALL TARGET(A1,A2,CSHAPE,CFLSHP,IDVSHP,IOSHP,CDESCR,MXNAT, &
SHPAR,DX,NAT,IXYZ,ICOMP,IDVOUT, &
MXN3,NAT3,PYD,PZD,BETADF,PHIDF,THETADF,X0, &
IANISO,NCOMP_NEED)
CALL SIZER(MXNAT,NAT,IXYZ,LXYZ)
STOP
!-----------------------------------------------------------------------
ELSEIF(CSHAPE=='DSKRCTPBC'.OR.CSHAPE=='dskrctpbc')THEN
CSHAPE='DSKRCTPBC'
WRITE(IDVOUT,*)'TUC for array of (disk on slab)'
WRITE(IDVOUT,*)'With disk located on x=0 surface'
WRITE(IDVOUT,*)'Enter disk thickness/d and diameter/d (0 0 to stop)'
READ(*,*)SHPAR(1),SHPAR(2)
WRITE(IDVOUT,*)'Enter slab dimensions Lx/d Ly/d Lz/d'
READ(*,*)SHPAR(3),SHPAR(4),SHPAR(5)
SHPAR(6)=0._WP ! P_y/d
SHPAR(7)=0._WP ! P_z/d
CALL TARGET(A1,A2,CSHAPE,CFLSHP,IDVSHP,IOSHP,CDESCR,MXNAT, &
SHPAR,DX,NAT,IXYZ,ICOMP,IDVOUT, &
MXN3,NAT3,PYD,PZD,BETADF,PHIDF,THETADF,X0, &
IANISO,NCOMP_NEED)
CALL SIZER(MXNAT,NAT,IXYZ,LXYZ)
STOP
!-----------------------------------------------------------------------
ELSEIF(CSHAPE=='DW1996TAR'.OR.CSHAPE=='dw1996tar')THEN
CSHAPE='DW1996TAR'
WRITE(IDVOUT,*)'Enter block size (lattice units)'
READ(*,*)SHPAR(1)
CALL TARGET(A1,A2,CSHAPE,CFLSHP,IDVSHP,IOSHP,CDESCR,MXNAT, &
SHPAR,DX,NAT,IXYZ,ICOMP,IDVOUT, &
MXN3,NAT3,PYD,PZD,BETADF,PHIDF,THETADF,X0, &
IANISO,NCOMP_NEED)
CALL SIZER(MXNAT,NAT,IXYZ,LXYZ)
WRITE(IDVOUT,7001)SHPAR(1),NAT
STOP
!-----------------------------------------------------------------------
ELSEIF(CSHAPE=='ELLIPSOID'.OR.CSHAPE=='ellipsoid')THEN
CSHAPE='ELLIPSOID'
DO J=1,100
WRITE(IDVOUT,*)'Enter ellipsoid diameters xv,yv,zv', &
' (0,0,0 to stop)'
READ(*,*)SHPAR(1),SHPAR(2),SHPAR(3)
IF(SHPAR(1).LE.0.)stop
CALL TARGET(A1,A2,CSHAPE,CFLSHP,IDVSHP,IOSHP,CDESCR,MXNAT, &
SHPAR,DX,NAT,IXYZ,ICOMP,IDVOUT, &
MXN3,NAT3,PYD,PZD,BETADF,PHIDF,THETADF,X0, &
IANISO,NCOMP_NEED)
CALL SIZER(MXNAT,NAT,IXYZ,LXYZ)
XCM=0.
YCM=0.
ZCM=0.
DO JJ=1,NAT
X=IXYZ(JJ,1)
Y=IXYZ(JJ,2)
Z=IXYZ(JJ,3)
XCM=XCM+X
YCM=YCM+Y
ZCM=ZCM+Z
ENDDO
XCM=XCM/REAL(NAT)
YCM=YCM/REAL(NAT)
ZCM=ZCM/REAL(NAT)
X2=0.
Y2=0.
Z2=0.
DO JJ=1,NAT
DDX=IXYZ(JJ,1)-XCM
DDY=IXYZ(JJ,2)-YCM
DDZ=IXYZ(JJ,3)-ZCM
X2=X2+DDX*DDX
Y2=Y2+DDY*DDY
Z2=Z2+DDZ*DDZ
ENDDO
X2=X2/NAT+1./12.
Y2=Y2/NAT+1./12.
Z2=Z2/NAT+1./12.
ERR=20.*PI*SQRT(5.*REAL(X2*Y2*Z2))/(3.*REAL(NAT))-1.
RXY=REAL(SQRT(X2/Y2))
RYZ=REAL(SQRT(Y2/Z2))
RZX=REAL(SQRT(Z2/X2))
RYX=1./RXY
RZY=1./RYZ
RXZ=1./RZX
X2=2.*SQRT(5.*X2)
Y2=2.*SQRT(5.*Y2)
Z2=2.*SQRT(5.*Z2)
WRITE(*,6200)SHPAR(1),SHPAR(2),SHPAR(3),NAT,X2,Y2,Z2,ERR, &
RYX,RZX,RYZ,RXY,RXZ,RZY
ENDDO
STOP
!-----------------------------------------------------------------------
ELSEIF(CSHAPE=='ELLIPSO_2'.OR.CSHAPE=='ellipso_2')THEN
CSHAPE='ELLIPSO_2'
DO J=1,100
WRITE(IDVOUT,*)'Enter x,y,z length/d for one ', &
'ellipsoid (0 0 0 to stop)'
READ(*,*)SHPAR(1),SHPAR(2),SHPAR(3)
IF(SHPAR(1).LE.0.)STOP
CALL TARGET(A1,A2,CSHAPE,CFLSHP,IDVSHP,IOSHP,CDESCR,MXNAT, &
SHPAR,DX,NAT,IXYZ,ICOMP,IDVOUT, &
MXN3,NAT3,PYD,PZD,BETADF,PHIDF,THETADF,X0, &
IANISO,NCOMP_NEED)
CALL SIZER(MXNAT,NAT,IXYZ,LXYZ)
WRITE(IDVOUT,7003)SHPAR(1),SHPAR(2),SHPAR(3),NAT
ENDDO
STOP
!-----------------------------------------------------------------------
ELSEIF(CSHAPE=='ELLIPSO_3'.OR.CSHAPE=='ellipso_3')THEN
CSHAPE='ELLIPSO_3'
DO J=1,100
WRITE(IDVOUT,*)'Enter x,y,z length/d for one ', &
'ellipsoid (0 0 0 to stop)'
READ(*,*)SHPAR(1),SHPAR(2),SHPAR(3)
IF(SHPAR(1).LE.0.)STOP
CALL TARGET(A1,A2,CSHAPE,CFLSHP,IDVSHP,IOSHP,CDESCR,MXNAT, &
SHPAR,DX,NAT,IXYZ,ICOMP,IDVOUT, &
MXN3,NAT3,PYD,PZD,BETADF,PHIDF,THETADF,X0, &
IANISO,NCOMP_NEED)
CALL SIZER(MXNAT,NAT,IXYZ,LXYZ)
WRITE(IDVOUT,7003)SHPAR(1),SHPAR(2),SHPAR(3),NAT
ENDDO
STOP
!-----------------------------------------------------------------------
ELSEIF(CSHAPE=='HEX_PRISM'.OR.CSHAPE=='hex_prism')THEN
CSHAPE='HEX_PRISM'
DO J=1,100
WRITE(IDVOUT,*)'Enter length (along symmetry axis)', &
' (0 to stop)'
READ(*,*)SHPAR(1)
IF(SHPAR(1).LE.0.)STOP
WRITE(IDVOUT,*)'Enter length of 1 hexagon side'
READ(*,*)SHPAR(2)
WRITE(IDVOUT,*)'Specify orientation of axes a1 (hex axis) ', &
'and a2'
WRITE(IDVOUT,*)' 1 for a1=x,a2=y'
WRITE(IDVOUT,*)' 2 for a1=x,a2=z'
WRITE(IDVOUT,*)' 3 for a1=y,a2=x'
WRITE(IDVOUT,*)' 4 for a1=y,a2=z'
WRITE(IDVOUT,*)' 5 for a1=z,a2=x'
WRITE(IDVOUT,*)' 6 for a1=z,a2=y'
READ(*,*)SHPAR(3)
CALL TARGET(A1,A2,CSHAPE,CFLSHP,IDVSHP,IOSHP,CDESCR,MXNAT, &
SHPAR,DX,NAT,IXYZ,ICOMP,IDVOUT, &
MXN3,NAT3,PYD,PZD,BETADF,PHIDF,THETADF,X0, &
IANISO,NCOMP_NEED)
CALL SIZER(MXNAT,NAT,IXYZ,LXYZ)
WRITE(IDVOUT,7003)(SHPAR(JJ),JJ=1,3),NAT
ENDDO
STOP
!-----------------------------------------------------------------------
ELSEIF(CSHAPE=='HEXGONPBC'.OR.CSHAPE=='hexgonpbc')THEN
CSHAPE='HEXGONPBC'
DO J=1,100
WRITE(IDVOUT,*)'Enter length (along symmetry axis)', &
' (0 to stop)'
READ(*,*)SHPAR(1)
IF(SHPAR(1).LE.0.)STOP
WRITE(IDVOUT,FMT='(A,A)')'Enter 2*length of 1 hexagon side/d', &
' = (max diameter)/d'
READ(*,*)SHPAR(2)
WRITE(IDVOUT,*)'Specify orientation of axes a1 (hex axis) ', &
'and a2 (normal to one hex edge)'
WRITE(IDVOUT,*)' 1 for a1=x,a2=y'
WRITE(IDVOUT,*)' 2 for a1=x,a2=z'
WRITE(IDVOUT,*)' 3 for a1=y,a2=x'
WRITE(IDVOUT,*)' 4 for a1=y,a2=z'
WRITE(IDVOUT,*)' 5 for a1=z,a2=x'
WRITE(IDVOUT,*)' 6 for a1=z,a2=y'
READ(*,*)SHPAR(3)
SHPAR(4)=0._WP ! P_y/d
SHPAR(5)=0._WP ! P_z/d
CALL TARGET(A1,A2,CSHAPE,CFLSHP,IDVSHP,IOSHP,CDESCR,MXNAT, &
SHPAR,DX,NAT,IXYZ,ICOMP,IDVOUT, &
MXN3,NAT3,PYD,PZD,BETADF,PHIDF,THETADF,X0, &
IANISO,NCOMP_NEED)
CALL SIZER(MXNAT,NAT,IXYZ,LXYZ)
WRITE(IDVOUT,7003)(SHPAR(JJ),JJ=1,3),NAT
ENDDO
STOP
!-----------------------------------------------------------------------
ELSEIF(CSHAPE=='LAYRDSLAB'.OR.CSHAPE=='layrdslab')THEN
CSHAPE='LAYRDSLAB'
WRITE(IDVOUT,*)'LAYRDSLAB = block with 2,4, or 4 layers'
DO J=1,100
WRITE(IDVOUT,*)'Enter x,y,z length/d ', &
' (0 to stop)'
READ(*,*)SHPAR(1),SHPAR(2),SHPAR(3)
IF(SHPAR(1).LE.0.)STOP
WRITE(IDVOUT,*)'Enter fractions f1,f2,f3 (f1+f2+f3.le.1)'
WRITE(IDVOUT,*)' (for bilayer slab set f1+f2=1, f3=0)'
READ(*,*)SHPAR(4),SHPAR(5),SHPAR(6)
CALL TARGET(A1,A2,CSHAPE,CFLSHP,IDVSHP,IOSHP,CDESCR,MXNAT, &
SHPAR,DX,NAT,IXYZ,ICOMP,IDVOUT, &
MXN3,NAT3,PYD,PZD,BETADF,PHIDF,THETADF,X0, &
IANISO,NCOMP_NEED)
CALL SIZER(MXNAT,NAT,IXYZ,LXYZ)
WRITE(IDVOUT,7001)SHPAR(1),NAT
ENDDO
STOP
!-----------------------------------------------------------------------
ELSEIF(CSHAPE=='LYRSLBPBC'.OR.CSHAPE=='lyrslbpbc')THEN
CSHAPE='LYRSLBPBC'
WRITE(IDVOUT,*)'LYRSLBPBC TUC=block with 4 layers'
DO J=1,100
WRITE(IDVOUT,*)'Enter x,y,z length/d ', &
' (0 0 0 to stop)'
READ(*,*)SHPAR(1),SHPAR(2),SHPAR(3)
IF(SHPAR(1).LE.0.)STOP
WRITE(IDVOUT,*)'Enter fractions f1,f2,f3,f4 (f1+f2+f3+f4=1)'
READ(*,*)SHPAR(4),SHPAR(5),SHPAR(6),SHPAR(7)
SHPAR(8)=0._WP ! P_y/d
SHPAR(9)=0._WP ! P_z/d
CALL TARGET(A1,A2,CSHAPE,CFLSHP,IDVSHP,IOSHP,CDESCR,MXNAT, &
SHPAR,DX,NAT,IXYZ,ICOMP,IDVOUT, &
MXN3,NAT3,PYD,PZD,BETADF,PHIDF,THETADF,X0, &
IANISO,NCOMP_NEED)
CALL SIZER(MXNAT,NAT,IXYZ,LXYZ)
WRITE(IDVOUT,7001)SHPAR(1),NAT
ENDDO
STOP
!-----------------------------------------------------------------------
ELSEIF(CSHAPE=='MLTBLOCKS'.OR.CSHAPE=='mltblocks')THEN
CSHAPE='MLTBLOCKS'
WRITE(IDVOUT,*)'MLTBLOCKS : target defined by file blocks.par'
CALL TARGET(A1,A2,CSHAPE,CFLSHP,IDVSHP,IOSHP,CDESCR,MXNAT, &
SHPAR,DX,NAT,IXYZ,ICOMP,IDVOUT, &
MXN3,NAT3,PYD,PZD,BETADF,PHIDF,THETADF,X0, &
IANISO,NCOMP_NEED)
CALL SIZER(MXNAT,NAT,IXYZ,LXYZ)
WRITE(IDVOUT,7000)NAT
STOP
!-----------------------------------------------------------------------
ELSEIF(CSHAPE=='RCTGL_PBC'.OR.CSHAPE=='rctgl_pbc')THEN
CSHAPE='RCTGL_PBC'
WRITE(IDVOUT,*)'Enter block dimensions X/d, Y/d, Z/d'
READ(*,*)SHPAR(1),SHPAR(2),SHPAR(3)
SHPAR(4)=0._WP ! P_y/d
SHPAR(5)=0._WP ! P_z/d
CALL TARGET(A1,A2,CSHAPE,CFLSHP,IDVSHP,IOSHP,CDESCR,MXNAT, &
SHPAR,DX,NAT,IXYZ,ICOMP,IDVOUT, &
MXN3,NAT3,PYD,PZD,BETADF,PHIDF,THETADF,X0, &
IANISO,NCOMP_NEED)
CALL SIZER(MXNAT,NAT,IXYZ,LXYZ)
WRITE(IDVOUT,7000)NAT
STOP
!-----------------------------------------------------------------------
ELSEIF(CSHAPE=='RCTGLPRSM'.OR.CSHAPE=='rctglprsm')THEN
CSHAPE='RCTGLPRSM'
DO J=1,100
WRITE(IDVOUT,*)'Enter x-length (0 to stop)'
READ(*,*)SHPAR(1)
IF(SHPAR(1).LE.0.)STOP
WRITE(IDVOUT,*)'Enter y-length'
READ(*,*)SHPAR(2)
WRITE(IDVOUT,*)'Enter z-length'
READ(*,*)SHPAR(3)
CALL TARGET(A1,A2,CSHAPE,CFLSHP,IDVSHP,IOSHP,CDESCR,MXNAT, &
SHPAR,DX,NAT,IXYZ,ICOMP,IDVOUT, &
MXN3,NAT3,PYD,PZD,BETADF,PHIDF,THETADF,X0, &
IANISO,NCOMP_NEED)
CALL SIZER(MXNAT,NAT,IXYZ,LXYZ)
WRITE(IDVOUT,7003)(SHPAR(JJ),JJ=1,3),NAT
ENDDO
STOP
!-----------------------------------------------------------------------
ELSEIF(CSHAPE=='RCTGLBLK3'.OR.CSHAPE=='rctglblk3')THEN
CSHAPE='RCTGLBLK3'
DO J=1,100
WRITE(IDVOUT,*)'Enter x,y,z length/d for first block ', &
' (0 0 0 to stop)'
READ(*,*)SHPAR(1),SHPAR(2),SHPAR(3)
IF(SHPAR(1).LE.0.)STOP
WRITE(IDVOUT,*)'Enter x,y,z length/d for second block '
READ(*,*)SHPAR(4),SHPAR(5),SHPAR(6)
WRITE(IDVOUT,*)'Enter x,y,z length/d for third block '
READ(*,*)SHPAR(7),SHPAR(8),SHPAR(9)
CALL TARGET(A1,A2,CSHAPE,CFLSHP,IDVSHP,IOSHP,CDESCR,MXNAT, &
SHPAR,DX,NAT,IXYZ,ICOMP,IDVOUT, &
MXN3,NAT3,PYD,PZD,BETADF,PHIDF,THETADF,X0, &
IANISO,NCOMP_NEED)
CALL SIZER(MXNAT,NAT,IXYZ,LXYZ)
WRITE(IDVOUT,7001)SHPAR(1),NAT
ENDDO
STOP
!-----------------------------------------------------------------------
ELSEIF(CSHAPE=='RECRECPBC'.OR.CSHAPE=='recrecpbc')THEN
CSHAPE='RECRECPBC'
DO J=1,100
WRITE(IDVOUT,*)'Enter x,y,z length/d for first block ', &
' (0 0 0 to stop)'
READ(*,*)SHPAR(1),SHPAR(2),SHPAR(3)
IF(SHPAR(1).LE.0.)STOP
WRITE(IDVOUT,*)'Enter x,y,z length/d for second block '
READ(*,*)SHPAR(4),SHPAR(5),SHPAR(6)
SHPAR(7)=0._WP ! PY/d
SHPAR(8)=0._WP ! PZ/d
CALL TARGET(A1,A2,CSHAPE,CFLSHP,IDVSHP,IOSHP,CDESCR,MXNAT, &
SHPAR,DX,NAT,IXYZ,ICOMP,IDVOUT, &
MXN3,NAT3,PYD,PZD,BETADF,PHIDF,THETADF,X0, &
IANISO,NCOMP_NEED)
CALL SIZER(MXNAT,NAT,IXYZ,LXYZ)
WRITE(IDVOUT,7006)SHPAR(1),SHPAR(2),SHPAR(3),SHPAR(4), &
SHPAR(5),SHPAR(6),NAT
ENDDO
STOP
!-----------------------------------------------------------------------
ELSEIF(CSHAPE=='SLAB_HOLE'.OR.CSHAPE=='slab_hole')THEN
CSHAPE='SLAB_HOLE'
DO J=1,100
WRITE(IDVOUT,*)'Slab dimensions = a b c ; ', &
'cylindrical hole radius = r'
WRITE(IDVOUT,*)'Enter a/d for block (0 to stop)'
READ(*,*)SHPAR(1)
IF(SHPAR(1)<0.5_WP)STOP
WRITE(IDVOUT,*)'Enter aspect ratios b/a c/a'
READ(*,*)SHPAR(2),SHPAR(3)
WRITE(IDVOUT,*)'Enter r/a for cylindrical hole'
READ(*,*)SHPAR(4)
IF(SHPAR(4)<0.5_WP*SQRT(SHPAR(2)**2+SHPAR(3)**2))THEN
CALL TARGET(A1,A2,CSHAPE,CFLSHP,IDVSHP,IOSHP,CDESCR,MXNAT, &
SHPAR,DX,NAT,IXYZ,ICOMP,IDVOUT, &
MXN3,NAT3,PYD,PZD,BETADF,PHIDF,THETADF,X0, &
IANISO,NCOMP_NEED)
CALL SIZER(MXNAT,NAT,IXYZ,LXYZ)
WRITE(IDVOUT,7004)SHPAR(1),SHPAR(2),SHPAR(3),SHPAR(4),NAT
ELSE
WRITE(IDVOUT,*)'hole is larger than y-z dimensions of block'
ENDIF
ENDDO
!-----------------------------------------------------------------------
ELSEIF(CSHAPE=='SLBHOLPBC'.OR.CSHAPE=='slbholpbc')THEN
CSHAPE='SLBHOLPBC'
DO J=1,100
WRITE(IDVOUT,*)'TUC dimensions = a b c ; ', &
'cylindrical hole radius = r'
WRITE(IDVOUT,*)'Enter a/d for TUC (0 to stop)'
READ(*,*)SHPAR(1)
WRITE(IDVOUT,*)'Enter aspect ratios b/a c/a'
READ(*,*)SHPAR(2),SHPAR(3)
IF(SHPAR(1)<0.5_WP)STOP
WRITE(IDVOUT,*)'Enter r/a for cylindrical hole'
READ(*,*)SHPAR(4)
IF(SHPAR(4)<0.5_WP*SQRT(SHPAR(2)**2+SHPAR(3)**2))THEN
SHPAR(5)=0._WP ! P_y/d
SHPAR(6)=0._WP ! P_z/d
CALL TARGET(A1,A2,CSHAPE,CFLSHP,IDVSHP,IOSHP,CDESCR,MXNAT, &
SHPAR,DX,NAT,IXYZ,ICOMP,IDVOUT, &
MXN3,NAT3,PYD,PZD,BETADF,PHIDF,THETADF,X0, &
IANISO,NCOMP_NEED)
CALL SIZER(MXNAT,NAT,IXYZ,LXYZ)
WRITE(IDVOUT,7006)SHPAR(1),SHPAR(2),SHPAR(3), &
SHPAR(4),SHPAR(5),SHPAR(6),NAT
ELSE
WRITE(IDVOUT,*)'hole is larger than y-z dimensions of block'
ENDIF
ENDDO
!-----------------------------------------------------------------------
ELSEIF(CSHAPE=='SPHERES_N'.OR.CSHAPE=='spheres_n')THEN
CSHAPE='SPHERES_N'
WRITE(IDVOUT,*)'Enter DIAMX = target extent in x-direction'
READ(*,*)SHPAR(1)
WRITE(IDVOUT,*)'Enter PRINAX=0 for a_1=(1,0,0),a_2=(0,1,0) ', &
'in TF'
WRITE(IDVOUT,*)' =1 for a_1,a_2 = principal axes'
READ(*,*)SHPAR(2)
WRITE(IDVOUT,*)'Enter name of sphere parameter file (e.g., ', &
'tarnsp.par [in quotes])'
READ(*,*)CFLSHP
CALL TARGET(A1,A2,CSHAPE,CFLSHP,IDVSHP,IOSHP,CDESCR,MXNAT, &
SHPAR,DX,NAT,IXYZ,ICOMP,IDVOUT, &
MXN3,NAT3,PYD,PZD,BETADF,PHIDF,THETADF,X0, &
IANISO,NCOMP_NEED)
CALL SIZER(MXNAT,NAT,IXYZ,LXYZ)
STOP
!-----------------------------------------------------------------------
ELSEIF(CSHAPE=='SPHROID_2'.OR.CSHAPE=='sphroid_2')THEN
CSHAPE='SPHROID_2'
WRITE(IDVOUT,*)'Enter length a_1 and diameter b_1 of 1st ', &
'spheroid'
READ(*,*)SHPAR(1),SHPAR(2)
WRITE(IDVOUT,*)'Enter length a_2 and diameter b_2 of 2nd ', &
'spheroid'
READ(*,*)SHPAR(3),SHPAR(4)
WRITE(IDVOUT,*)'Enter angle phi (deg) between axes a_1 and ', &
'a_2'
READ(*,*)SHPAR(5)
WRITE(IDVOUT,*)'Enter PRINAX=0 for a_1=(1,0,0),a_2=(0,1,0) ', &
'in TF'
WRITE(IDVOUT,*)' =1 for a_1,a_2 = principal axes'
READ(*,*)SHPAR(6)
CALL TARGET(A1,A2,CSHAPE,CFLSHP,IDVSHP,IOSHP,CDESCR,MXNAT, &
SHPAR,DX,NAT,IXYZ,ICOMP,IDVOUT, &
MXN3,NAT3,PYD,PZD,BETADF,PHIDF,THETADF,X0, &
IANISO,NCOMP_NEED)
CALL SIZER(MXNAT,NAT,IXYZ,LXYZ)
WRITE(IDVOUT,7006)
STOP
!-----------------------------------------------------------------------
ELSEIF(CSHAPE=='SPHRN_PBC'.OR.CSHAPE=='sphrn_pbc')THEN
CSHAPE='SPHRN_PBC'
WRITE(IDVOUT,*)'Enter diam_x/d = target extent in x-direction '
READ(*,*)SHPAR(1)
WRITE(IDVOUT,*)'Enter filename for sphere locations (in quotes)'
READ(*,*)CFLSHP
SHPAR(2)=0._WP ! Py/aeff
SHPAR(3)=0._WP ! PZ/aeff
CALL TARGET(A1,A2,CSHAPE,CFLSHP,IDVSHP,IOSHP,CDESCR,MXNAT, &
SHPAR,DX,NAT,IXYZ,ICOMP,IDVOUT, &
MXN3,NAT3,PYD,PZD,BETADF,PHIDF,THETADF,X0, &
IANISO,NCOMP_NEED)
CALL SIZER(MXNAT,NAT,IXYZ,LXYZ)
WRITE(IDVOUT,7006)
STOP
!-----------------------------------------------------------------------
ELSEIF(CSHAPE=='SPH_ANI_N'.OR.CSHAPE=='sph_ani_n')THEN
CSHAPE='SPH_ANI_N'
WRITE(IDVOUT,*)'Enter PRINAX=0 for a_1=(1,0,0),a_2=(0,1,0) ', &
'in TF'
WRITE(IDVOUT,*)' =1 for a_1,a_2 = principal axes'
READ(*,*)SHPAR(2)
WRITE(IDVOUT,*)'Enter name of sphere parameter file (e.g., ', &
'tarnsp.par [in quotes])'
READ(*,*)CFLSHP
DO J=1,100
WRITE(IDVOUT,*)'Enter DIAMX = target extent in x-direction', &
' (0 to stop)'
READ(*,*)SHPAR(1)
IF(SHPAR(1).LE.0.)STOP
CALL TARGET(A1,A2,CSHAPE,CFLSHP,IDVSHP,IOSHP,CDESCR,MXNAT, &
SHPAR,DX,NAT,IXYZ,ICOMP,IDVOUT, &
MXN3,NAT3,PYD,PZD,BETADF,PHIDF,THETADF,X0, &
IANISO,NCOMP_NEED)
CALL SIZER(MXNAT,NAT,IXYZ,LXYZ)
ENDDO
STOP
!-----------------------------------------------------------------------
ELSEIF(CSHAPE=='TETRAHDRN'.OR.CSHAPE=='tetrahdrn')THEN
CSHAPE='TETRAHDRN'
DO J=1,100
WRITE(IDVOUT,*)'Enter tetrahedron side length ', &
' (0 to stop)'
READ(*,*)SHPAR(1)
SHPAR(2)=SHPAR(1)
SHPAR(3)=SHPAR(1)
IF(SHPAR(1).LE.0.)STOP
CALL TARGET(A1,A2,CSHAPE,CFLSHP,IDVSHP,IOSHP,CDESCR,MXNAT, &
SHPAR,DX,NAT,IXYZ,ICOMP,IDVOUT, &
MXN3,NAT3,PYD,PZD,BETADF,PHIDF,THETADF,X0, &
IANISO,NCOMP_NEED)
CALL SIZER(MXNAT,NAT,IXYZ,LXYZ)
WRITE(IDVOUT,7001)SHPAR(1),NAT
ENDDO
STOP
!-----------------------------------------------------------------------
ELSEIF(CSHAPE=='TRILYRPBC'.OR.CSHAPE=='trilyrpbc')THEN
CSHAPE='TRILYRPBC'
WRITE(IDVOUT,*)'TRILYRPBC TUC=three stacked rectangular blocks'
WRITE(IDVOUT,*)'Enter size x/d, y/d, z/d for upper block'
READ(*,*)SHPAR(1),SHPAR(2),SHPAR(3)
WRITE(IDVOUT,*)'Enter size x/d, y/d, z/d for middle block'
READ(*,*)SHPAR(4),SHPAR(5),SHPAR(6)
WRITE(IDVOUT,*)'Enter size x/d, y/d, z/d for bottom block'
READ(*,*)SHPAR(7),SHPAR(8),SHPAR(9)
SHPAR(10)=0._WP ! P_y/d
SHPAR(11)=0._WP ! P_z/d
CALL TARGET(A1,A2,CSHAPE,CFLSHP,IDVSHP,IOSHP,CDESCR,MXNAT, &
SHPAR,DX,NAT,IXYZ,ICOMP,IDVOUT, &
MXN3,NAT3,PYD,PZD,BETADF,PHIDF,THETADF,X0, &
IANISO,NCOMP_NEED)
CALL SIZER(MXNAT,NAT,IXYZ,LXYZ)
STOP
!-----------------------------------------------------------------------
ELSEIF(CSHAPE=='TRNGLPRSM'.OR.CSHAPE=='trnglprsm')THEN
CSHAPE='TRNGLPRSM'
WRITE(IDVOUT,*)'Enter a/d = first triangle side/d (0 to stop)'
READ(*,*)SHPAR(1)
IF(SHPAR(1).LE.0.)STOP
WRITE(IDVOUT,*)'Enter b/a , c/a, L/a'
READ(*,*)SHPAR(2),SHPAR(3),SHPAR(4)
CALL TARGET(A1,A2,CSHAPE,CFLSHP,IDVSHP,IOSHP,CDESCR,MXNAT, &
SHPAR,DX,NAT,IXYZ,ICOMP,IDVOUT, &
MXN3,NAT3,PYD,PZD,BETADF,PHIDF,THETADF,X0, &
IANISO,NCOMP_NEED)
CALL SIZER(MXNAT,NAT,IXYZ,LXYZ)
STOP
!-----------------------------------------------------------------------
! Note: this target option is not described in the DDSCAT UserGuide.
! if you are interested in using it, please contact
! draine@astro.princeton.edu
ELSEIF(CSHAPE=='GAUSS_SPH'.OR.CSHAPE=='gauss_sph')THEN
CSHAPE='GAUSS_SPH'
WRITE(IDVOUT,*)'Enter a_eff/d'
READ(*,*)SHPAR(1)
WRITE(IDVOUT,*)'Enter power law index beta > 1 (0 to input', &
' a_lm from file targspher.alm)'
READ(*,*)SHPAR(3)
IF(SHPAR(3)==0)THEN
WRITE(IDVOUT,*)'OK -- will read input params from targspher.alm'
CFLSHP='targspher.alm'
ELSEIF(SHPAR(3).GT.1.)THEN
WRITE(IDVOUT,*)'Enter Lmax > 0 (e.g., 5)'
READ(*,*)SHPAR(4)
WRITE(IDVOUT,*)'Enter <s^2> (e.g., 0.05) [this includes ', &
'all a_lm up to NMAX (=100)'
READ(*,*)SHPAR(5)
WRITE(IDVOUT,*)'Enter integer seed > 0'
READ(*,*)SHPAR(6)
ELSE
WRITE(IDVOUT,*)'Invalid value for BETA'
ENDIF
WRITE(IDVOUT,*)'Enter PRINAX=0 for a_1=(1,0,0),a_2=(0,1,0) ', &
'in TF'
WRITE(IDVOUT,*)' 1 for a_1,a_2 = principal axes'
READ(*,*)SHPAR(2)
!*** diagnostic
WRITE(IDVOUT,*)'about to call target with ioshp=',ioshp
!***
CALL TARGET(A1,A2,CSHAPE,CFLSHP,IDVSHP,IOSHP,CDESCR,MXNAT, &
SHPAR,DX,NAT,IXYZ,ICOMP,IDVOUT, &
MXN3,NAT3,PYD,PZD,BETADF,PHIDF,THETADF,X0, &
IANISO,NCOMP_NEED)
CALL SIZER(MXNAT,NAT,IXYZ,LXYZ)
STOP
!-----------------------------------------------------------------------
ELSE
WRITE(IDVOUT,*)'CALLTARGET does not know how to make shape = ',CSHAPE
GOTO 1000
ENDIF
6000 FORMAT(' AX=',F7.4,' NAT=',I7)
6100 FORMAT(' AX=',F7.4,' AY=',F7.4,' AZ=',F7.4,' NAT=',I7,' F=',F10.6)
6200 FORMAT(' XV =',F7.4,' YV =',F7.4,' ZV =',F7.4, &
' NAT=',I8,/, &
' 2a_eff=',F7.4,' 2b_eff=',F7.4,' 2c_eff=',F7.4, &
' err=',F8.7,/, &
' y:x =',F7.4,' z:x =',F7.4,' y:z =',F7.4,/, &
' x:y =',F7.4,' x:z =',F7.4,' z:y =',F7.4)
7000 FORMAT('NAT=',I8)
7001 FORMAT('SHPAR(1)=',F10.5,' NAT=',I8)
7002 FORMAT('SHPAR(1-2)=',2F10.5,' NAT=',I8)
7003 FORMAT('SHPAR(1-3)=',3F10.5,' NAT=',I8)
7004 FORMAT('SHPAR(1-4)=',4F10.5,' NAT=',I8)
7005 FORMAT('SHPAR(1-5)=',5F10.5,' NAT=',I8)
7006 FORMAT('SHPAR(1-6_=',6F10.5,' NAT=',I8)
END PROGRAM CALLTARGET