hermitian_2 and fhermit moved to dispersion module, dqagmv module added

This commit is contained in:
Daniele Micheletti 2015-05-22 10:14:36 +00:00
parent 0736f9793a
commit 9a56975e75
6 changed files with 1917 additions and 199 deletions

View File

@ -101,7 +101,7 @@ gray-externals.o: green_func_p.o reflections.o beamdata.o const_and_precisions.o
green_func_p.o: const_and_precisions.o
scatterspl.o: const_and_precisions.o
beamdata.o: const_and_precisions.o
dispersion.o: calcei.o
dispersion.o: calcei.o dqagmv.o
# Special rule to preprocess source file and include svn revision
# ---------------------------------------------------------------

View File

@ -4,7 +4,7 @@ EXE=gray-single
# Objects list
OBJ= gray-single.o gray_main.o gray-externals.o grayl.o beamdata.o \
const_and_precisions.o green_func_p.o reflections.o scatterspl.o \
dispersion.o calcei.o
dispersion.o calcei.o dqagmv.o
# Alternative search paths
vpath %.f90 src
@ -68,7 +68,7 @@ gray-externals.o: green_func_p.o reflections.o beamdata.o const_and_precisions.o
green_func_p.o: const_and_precisions.o
scatterspl.o: const_and_precisions.o
beamdata.o: const_and_precisions.o
dispersion.o: calcei.o
dispersion.o: calcei.o dqagmv.o
## library name
## ------------

View File

@ -4,7 +4,8 @@ LIBFILE=lib$(EXE).a
# Objects list
OBJ=gray_main.o gray-externals.o grayl.o reflections.o scatterspl.o \
beamdata.o green_func_p.o const_and_precisions.o dispersion.o calcei.o
beamdata.o green_func_p.o const_and_precisions.o dispersion.o \
calcei.o dqagmv.o
# Alternative search paths
vpath %.f90 src
@ -34,7 +35,7 @@ gray-externals.o: green_func_p.o reflections.o beamdata.o dispersion.o
green_func_p.o: const_and_precisions.o
scatterspl.o: const_and_precisions.o
beamdata.o: const_and_precisions.o
dispersion.o: calcei.o
dispersion.o: calcei.o dqagmv.o
# General object compilation command
%.o: %.f90

View File

@ -306,7 +306,19 @@ subroutine diel_tens_fr(xg,yg,mu,npl,e330,cr,ci,epsl,lrm,fast)
end do
end do
!
call hermitian(rr,yg,mu,npl,cr,ci,fast,lrm)
! call hermitian(rr,yg,mu,npl,cr,ci,fast,lrm)
select case(fast)
case(2:3)
call hermitian(rr,yg,mu,npl,cr,ci,fast,lrm)
case(4)
call hermitian_2(rr,yg,mu,npl,cr,ci,fast,lrm)
case default
write(*,*) 'fast dispersion flag unknown value:', fast
end select
!
call antihermitian(ri,yg,mu,npl,cr,ci,lrm)
!
@ -572,8 +584,211 @@ subroutine diel_tens_fr(xg,yg,mu,npl,e330,cr,ci,epsl,lrm,fast)
end subroutine hermitian
!
!
subroutine hermitian_2(rr,yg,mu,npl,cr,ci,fast,lrm)
!
implicit none
! parameters
integer :: lw,liw,npar
parameter(lw=5000,liw=lw/4,npar=7)
real(dp) :: epsa,epsr
parameter(epsa=0.0d0,epsr=1.0d-4)
! arguments
integer :: lrm,fast
real(dp) :: yg,mu,npl,cr,ci
real(dp), dimension(-lrm:lrm,0:2,0:lrm) :: rr
! internal
integer :: n,m,ih,i,k,n1,nn,llm,neval,ier,last
integer, dimension(liw) :: iw
real(dp) :: mu2,mu4,mu6,npl2,dt,bth,bth2,bth4,bth6
real(dp) :: t,x,s,sy1,sy2,sy3,resfh,epp
real(dp), dimension(lw) :: w
real(dp), dimension(npar) :: apar
!
do n=-lrm,lrm
do k=0,2
do m=0,lrm
rr(n,k,m)=0.0d0
end do
end do
end do
!
llm=min(3,lrm)
!
bth2=2.0d0/mu
bth=sqrt(bth2)
mu2=mu*mu
mu4=mu2*mu2
mu6=mu4*mu2
!
n1=1
if(fast.gt.10) n1=-llm
!
apar(1) = yg
apar(2) = mu
apar(3) = npl
apar(4) = cr
apar(5) = real(n,dp)
apar(6) = real(m,dp)
apar(7) = real(ih,dp)
!
do n=n1,llm
nn=abs(n)
do m=nn,llm
if(n.eq.0.and.m.eq.0) then
ih=2
! call dqagi(fhermit,bound,2,epsa,epsr,resfh,
call dqagsmv(fhermit,-tmax,tmax,apar,npar,epsa,epsr,resfh,&
& epp,neval,ier,liw,lw,last,iw,w)
rr(n,2,m) = resfh
else
do ih=0,2
! call dqagi(fhermit,bound,2,epsa,epsr,resfh,
call dqagsmv(fhermit,-tmax,tmax,apar,npar,epsa,epsr,resfh,&
& epp,neval,ier,liw,lw,last,iw,w)
rr(n,ih,m) = resfh
end do
end if
end do
end do
if(fast.gt.10) return
!
sy1=1.0d0+yg
sy2=1.0d0+yg*2.0d0
sy3=1.0d0+yg*3.0d0
!
bth4=bth2*bth2
bth6=bth4*bth2
!
npl2=npl*npl
!
rr(0,2,0) = -(1.0d0+bth2*(-1.25d0+1.5d0*npl2)&
& +bth4*(1.71875d0-6.0d0*npl2+3.75d0*npl2*npl2))
rr(0,1,1) = -npl*bth2*(1.0d0+bth2*(-2.25d0+1.5d0*npl2))
rr(0,2,1) = -bth2*(1.0d0+bth2*(-0.5d0+1.5d0*npl2))
rr(-1,0,1) = -2.0d0/sy1*(1.0d0+bth2/sy1*(-1.25d0+0.5d0*npl2&
& /sy1)+bth4/sy1*(-0.46875d0+(2.1875d0+0.625d0*npl2)/&
& sy1-2.625d0*npl2/sy1**2+0.75d0*npl2*npl2/sy1**3))
rr(-1,1,1) = -npl*bth2/sy1**2*(1.0d0+bth2*(1.25d0-3.5d0/sy1+&
& 1.5d0*npl2/sy1**2))
rr(-1,2,1) = -bth2/sy1*(1.0d0+bth2*(1.25d0-1.75d0/sy1+1.5d0*&
& npl2/sy1**2))
!
if(llm.gt.1) then
!
rr(0,0,2) = -4.0d0*bth2*(1.0d0+bth2*(-0.5d0+0.5d0*npl2)+&
& bth4*(1.125d0-1.875d0*npl2+0.75d0*npl2*npl2))
rr(0,1,2) = -2.0d0*npl*bth4*(1.0d0+bth2*(-1.5d0+1.5d0*npl2))
rr(0,2,2) = -2.0d0*bth4*(1.0d0+bth2*(0.75d0+1.5d0*npl2))
rr(-1,0,2) = -4.0d0*bth2/sy1*(1.0d0+bth2*&
& (1.25d0-1.75d0/sy1+0.5d0*npl2/sy1**2)+bth4*&
& (0.46875d0-3.28125d0/sy1+(3.9375d0+1.5d0*npl2)/sy1**2&
& -3.375d0*npl2/sy1**3+0.75d0*npl2*npl2/sy1**4))
rr(-1,1,2) = -2.0d0*bth4*npl/sy1**2*(1.0d0+bth2*&
& (3.0d0-4.5d0/sy1+1.5d0*npl2/sy1**2))
rr(-1,2,2) = -2.0d0*bth4/sy1*(1.0d0+bth2*&
& (3.0d0-2.25d0/sy1+1.5d0*npl2/sy1**2))
rr(-2,0,2) = -4.0d0*bth2/sy2*(1.0d0+bth2*&
& (1.25d0-1.75d0/sy2+0.5d0*npl2/sy2**2)+bth4*&
& (0.46875d0-3.28125d0/sy2+(3.9375d0+1.5d0*npl2)/sy2**2&
& -3.375d0*npl2/sy2**3+0.75d0*npl2*npl2/sy2**4))
rr(-2,1,2) =-2.0d0*bth4*npl/sy2**2*(1.0d0+bth2*&
& (3.0d0-4.5d0/sy2+1.5d0*npl2/sy2**2))
rr(-2,2,2) = -2.0d0*bth4/sy2*(1.0d0+bth2*&
& (3.0d0-2.25d0/sy2+1.5d0*npl2/sy2**2))
!
if(llm.gt.2) then
!
rr(0,0,3) = -12.0d0*bth4*(1+bth2*(0.75d0+0.5d0*npl2)+bth4*&
& (1.21875d0-1.5d0*npl2+0.75d0*npl2*npl2))
rr(0,1,3) = -6.0d0*npl*bth6*(1+bth2*(-0.25d0+1.5d0*npl2))
rr(0,2,3) = -6.0d0*bth6*(1+bth2*(2.5d0+1.5d0*npl2))
rr(-1,0,3) = -12.0d0*bth4/sy1*&
& (1.0d0+bth2*(3.0d0-2.25d0/sy1+0.5d0*npl2/sy1**2)+&
& bth4*(3.75d0-8.71875d0/sy1+(6.1875d0+2.625d0*npl2)&
& /sy1**2-4.125d0*npl2/sy1**3+0.75d0*npl2*npl2/sy1**4))
rr(-1,1,3) = -6.0d0*npl*bth6/sy1**2*&
& (1.0d0+bth2*(5.25d0-5.5d0/sy1+1.5d0*npl2/sy1**2))
rr(-1,2,3) = -6.0d0*bth6/sy1*&
& (1.0d0+bth2*(5.25d0-2.75d0/sy1+1.5d0*npl2/sy1**2))
!
rr(-2,0,3) = -12.0d0*bth4/sy2*&
& (1.0d0+bth2*(3.0d0-2.25d0/sy2+0.5d0*npl2/sy2**2)+&
& bth4*(3.75d0-8.71875d0/sy2+(6.1875d0+2.625d0*npl2)&
& /sy2**2-4.125d0*npl2/sy2**3+0.75d0*npl2*npl2/sy2**4))
rr(-2,1,3) = -6.0d0*npl*bth6/sy2**2*&
& (1.0d0+bth2*(5.25d0-5.5d0/sy2+1.5d0*npl2/sy2**2))
rr(-2,2,3) = -6.0d0*bth6/sy2*&
& (1.0d0+bth2*(5.25d0-2.75d0/sy2+1.5d0*npl2/sy2**2))
!
rr(-3,0,3) = -12.0d0*bth4/sy3*&
& (1.0d0+bth2*(3.0d0-2.25d0/sy3+0.5d0*npl2/sy3**2)+&
& bth4*(3.75d0-8.71875d0/sy3+(6.1875d0+2.625d0*npl2)&
& /sy3**2-4.125d0*npl2/sy3**3+0.75d0*npl2*npl2/sy3**4))
rr(-3,1,3) = -6.0d0*npl*bth6/sy3**2*&
& (1.0d0+bth2*(5.25d0-5.5d0/sy3+1.5d0*npl2/sy3**2))
rr(-3,2,3) = -6.0d0*bth6/sy3*&
& (1.0d0+bth2*(5.25d0-2.75d0/sy3+1.5d0*npl2/sy3**2))
!
end if
end if
!
return
end
!
!
function fhermit(t,apar,npar)
!
implicit none
! arguments
integer npar
real(dp) t,fhermit
real(dp), dimension(npar) :: apar
! internal
integer :: n,m,ih
integer nn
real(dp) :: yg,mu,npl,cr
real(dp) :: mu2,mu4,mu6,bth,bth2,rxt,x,upl2,upl,gx
real(dp) :: exdxdt,gr,zm,s,zm2,zm3,fe0m,ffe,uplh
!
yg = apar(1)
mu = apar(2)
npl = apar(3)
cr = apar(4)
n = int(apar(5))
m = int(apar(6))
ih = int(apar(7))
!
bth2=2.0d0/mu
bth=sqrt(bth2)
mu2=mu*mu
mu4=mu2*mu2
mu6=mu4*mu2
!
rxt=sqrt(1.0d0+t*t/(2.0d0*mu))
x = t*rxt
upl2=bth2*x**2
upl=bth*x
gx=1.0d0+t*t/mu
exdxdt=cr*exp(-t*t)*gx/rxt
nn=abs(n)
gr=npl*upl+n*yg
zm=-mu*(gx-gr)
s=mu*(gx+gr)
zm2=zm*zm
zm3=zm2*zm
call calcei3(zm,fe0m)
ffe=0.0d0
uplh=upl**ih
if(n.eq.0.and.m.eq.0) ffe=exdxdt*fe0m*upl2
if(m.eq.1) ffe=(1.0d0+s*(1.0d0-zm*fe0m))*uplh/mu2
if(m.eq.2) ffe=(6.0d0-2.0d0*zm+4.0d0*s &
& +s*s*(1.0d0+zm-zm2*fe0m))*uplh/mu4
if(m.eq.3) ffe=(18.0d0*s*(s+4.0d0-zm)+6.0d0*(20.0d0-8.0d0*zm+zm2) &
& +s**3*(2.0d0+zm+zm2-zm3*fe0m))*uplh/mu6
fhermit= exdxdt*ffe
return
end
!
!
subroutine antihermitian(ri,yg,mu,npl,cr,ci,lrm)

1695
src/dqagmv.f Normal file

File diff suppressed because it is too large Load Diff

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@ -5071,199 +5071,6 @@ c
c
c
c
subroutine hermitian_2(rr,lrm)
implicit real*8(a-h,o-z)
parameter(tmax=5,npts=500)
dimension rr(-lrm:lrm,0:2,0:lrm)
parameter(epsa=0.0d0,epsr=1.0d-4)
parameter (lw=5000,liw=lw/4)
dimension w(lw),iw(liw)
external fhermit
c
common/ygyg/yg
common/amut/amu
common/nplr/anpl,anpr
common/warm/iwarm,ilarm
common/cri/cr,ci
common/nmhermit/n,m,ih
c
do n=-lrm,lrm
do k=0,2
do m=0,lrm
rr(n,k,m)=0.0d0
end do
end do
end do
c
llm=min(3,lrm)
c
bth2=2.0d0/amu
bth=sqrt(bth2)
amu2=amu*amu
amu4=amu2*amu2
amu6=amu4*amu2
c
n1=1
if(iwarm.gt.10) n1=-llm
c
do n=n1,llm
nn=abs(n)
do m=nn,llm
if(n.eq.0.and.m.eq.0) then
ih=2
c call dqagi(fhermit,bound,2,epsa,epsr,resfh,
call dqags(fhermit,-tmax,tmax,epsa,epsr,resfh,
. epp,neval,ier,liw,lw,last,iw,w)
rr(n,2,m) = resfh
else
do ih=0,2
c call dqagi(fhermit,bound,2,epsa,epsr,resfh,
call dqags(fhermit,-tmax,tmax,epsa,epsr,resfh,
. epp,neval,ier,liw,lw,last,iw,w)
rr(n,ih,m) = resfh
end do
end if
end do
end do
if(iwarm.gt.10) return
c
sy1=1.0d0+yg
sy2=1.0d0+yg*2.0d0
sy3=1.0d0+yg*3.0d0
c
bth4=bth2*bth2
bth6=bth4*bth2
c
anpl2=anpl*anpl
c
rr(0,2,0) = -(1.0d0+bth2*(-1.25d0+1.5d0*anpl2)
. +bth4*(1.71875d0-6.0d0*anpl2+3.75d0*anpl2*anpl2))
rr(0,1,1) = -anpl*bth2*(1.0d0+bth2*(-2.25d0+1.5d0*anpl2))
rr(0,2,1) = -bth2*(1.0d0+bth2*(-0.5d0+1.5d0*anpl2))
rr(-1,0,1) = -2.0d0/sy1*(1.0d0+bth2/sy1*(-1.25d0+0.5d0*anpl2
. /sy1)+bth4/sy1*(-0.46875d0+(2.1875d0+0.625d0*anpl2)/
. sy1-2.625d0*anpl2/sy1**2+0.75d0*anpl2*anpl2/sy1**3))
rr(-1,1,1) = -anpl*bth2/sy1**2*(1.0d0+bth2*(1.25d0-3.5d0/sy1+
. 1.5d0*anpl2/sy1**2))
rr(-1,2,1) = -bth2/sy1*(1.0d0+bth2*(1.25d0-1.75d0/sy1+1.5d0*
. anpl2/sy1**2))
c
if(llm.gt.1) then
c
rr(0,0,2) = -4.0d0*bth2*(1.0d0+bth2*(-0.5d0+0.5d0*anpl2)+
. bth4*(1.125d0-1.875d0*anpl2+0.75d0*anpl2*anpl2))
rr(0,1,2) = -2.0d0*anpl*bth4*(1.0d0+bth2*(-1.5d0+1.5d0*anpl2))
rr(0,2,2) = -2.0d0*bth4*(1.0d0+bth2*(0.75d0+1.5d0*anpl2))
rr(-1,0,2) = -4.0d0*bth2/sy1*(1.0d0+bth2*
. (1.25d0-1.75d0/sy1+0.5d0*anpl2/sy1**2)+bth4*
. (0.46875d0-3.28125d0/sy1+(3.9375d0+1.5d0*anpl2)/sy1**2
. -3.375d0*anpl2/sy1**3+0.75d0*anpl2*anpl2/sy1**4))
rr(-1,1,2) = -2.0d0*bth4*anpl/sy1**2*(1.0d0+bth2*
. (3.0d0-4.5d0/sy1+1.5d0*anpl2/sy1**2))
rr(-1,2,2) = -2.0d0*bth4/sy1*(1.0d0+bth2*
. (3.0d0-2.25d0/sy1+1.5d0*anpl2/sy1**2))
rr(-2,0,2) = -4.0d0*bth2/sy2*(1.0d0+bth2*
. (1.25d0-1.75d0/sy2+0.5d0*anpl2/sy2**2)+bth4*
. (0.46875d0-3.28125d0/sy2+(3.9375d0+1.5d0*anpl2)/sy2**2
. -3.375d0*anpl2/sy2**3+0.75d0*anpl2*anpl2/sy2**4))
rr(-2,1,2) =-2.0d0*bth4*anpl/sy2**2*(1.0d0+bth2*
. (3.0d0-4.5d0/sy2+1.5d0*anpl2/sy2**2))
rr(-2,2,2) = -2.0d0*bth4/sy2*(1.0d0+bth2*
. (3.0d0-2.25d0/sy2+1.5d0*anpl2/sy2**2))
c
if(llm.gt.2) then
c
rr(0,0,3) = -12.0d0*bth4*(1+bth2*(0.75d0+0.5d0*anpl2)+bth4*
. (1.21875d0-1.5d0*anpl2+0.75d0*anpl2*anpl2))
rr(0,1,3) = -6.0d0*anpl*bth6*(1+bth2*(-0.25d0+1.5d0*anpl2))
rr(0,2,3) = -6.0d0*bth6*(1+bth2*(2.5d0+1.5d0*anpl2))
rr(-1,0,3) = -12.0d0*bth4/sy1*
. (1.0d0+bth2*(3.0d0-2.25d0/sy1+0.5d0*anpl2/sy1**2)+
. bth4*(3.75d0-8.71875d0/sy1+(6.1875d0+2.625d0*anpl2)
. /sy1**2-4.125d0*anpl2/sy1**3+0.75d0*anpl2*anpl2/sy1**4))
rr(-1,1,3) = -6.0d0*anpl*bth6/sy1**2*
. (1.0d0+bth2*(5.25d0-5.5d0/sy1+1.5d0*anpl2/sy1**2))
rr(-1,2,3) = -6.0d0*bth6/sy1*
. (1.0d0+bth2*(5.25d0-2.75d0/sy1+1.5d0*anpl2/sy1**2))
c
rr(-2,0,3) = -12.0d0*bth4/sy2*
. (1.0d0+bth2*(3.0d0-2.25d0/sy2+0.5d0*anpl2/sy2**2)+
. bth4*(3.75d0-8.71875d0/sy2+(6.1875d0+2.625d0*anpl2)
. /sy2**2-4.125d0*anpl2/sy2**3+0.75d0*anpl2*anpl2/sy2**4))
rr(-2,1,3) = -6.0d0*anpl*bth6/sy2**2*
. (1.0d0+bth2*(5.25d0-5.5d0/sy2+1.5d0*anpl2/sy2**2))
rr(-2,2,3) = -6.0d0*bth6/sy2*
. (1.0d0+bth2*(5.25d0-2.75d0/sy2+1.5d0*anpl2/sy2**2))
c
rr(-3,0,3) = -12.0d0*bth4/sy3*
. (1.0d0+bth2*(3.0d0-2.25d0/sy3+0.5d0*anpl2/sy3**2)+
. bth4*(3.75d0-8.71875d0/sy3+(6.1875d0+2.625d0*anpl2)
. /sy3**2-4.125d0*anpl2/sy3**3+0.75d0*anpl2*anpl2/sy3**4))
rr(-3,1,3) = -6.0d0*anpl*bth6/sy3**2*
. (1.0d0+bth2*(5.25d0-5.5d0/sy3+1.5d0*anpl2/sy3**2))
rr(-3,2,3) = -6.0d0*bth6/sy3*
. (1.0d0+bth2*(5.25d0-2.75d0/sy3+1.5d0*anpl2/sy3**2))
c
end if
end if
c
return
end
function fhermit(t)
use calcei_mod, only : calcei3
implicit real*8 (a-h,o-z)
c
common/ygyg/yg
common/amut/amu
common/nplr/anpl,anpr
common/cri/cr,ci
common/nmhermit/n,m,ih
bth2=2.0d0/amu
bth=sqrt(bth2)
amu2=amu*amu
amu4=amu2*amu2
amu6=amu4*amu2
rxt=sqrt(1.0d0+t*t/(2.0d0*amu))
x = t*rxt
upl2=bth2*x**2
upl=bth*x
gx=1.0d0+t*t/amu
exdxdt=cr*exp(-t*t)*gx/rxt
nn=abs(n)
gr=anpl*upl+n*yg
zm=-amu*(gx-gr)
s=amu*(gx+gr)
zm2=zm*zm
zm3=zm2*zm
call calcei3(zm,fe0m)
ffe=0.0d0
uplh=upl**ih
if(n.eq.0.and.m.eq.0) ffe=exdxdt*fe0m*upl2
if(m.eq.1) ffe=(1.0d0+s*(1.0d0-zm*fe0m))*uplh/amu2
if(m.eq.2) ffe=(6.0d0-2.0d0*zm+4.0d0*s
. +s*s*(1.0d0+zm-zm2*fe0m))*uplh/amu4
if(m.eq.3) ffe=(18.0d0*s*(s+4.0d0-zm)+6.0d0*(20.0d0-8.0d0*zm+zm2)
. +s**3*(2.0d0+zm+zm2-zm3*fe0m))*uplh/amu6
fhermit= exdxdt*ffe
return
end
c
c
c
subroutine eccd(effjcd)
use green_func_p
implicit none