hermitian_2 and fhermit moved to dispersion module, dqagmv module added
This commit is contained in:
Daniele Micheletti
parent
0736f9793a
commit
9a56975e75
2
Makefile
2
Makefile
@ -101,7 +101,7 @@ gray-externals.o: green_func_p.o reflections.o beamdata.o const_and_precisions.o
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green_func_p.o: const_and_precisions.o
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scatterspl.o: const_and_precisions.o
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beamdata.o: const_and_precisions.o
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dispersion.o: calcei.o
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dispersion.o: calcei.o dqagmv.o
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# Special rule to preprocess source file and include svn revision
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# ---------------------------------------------------------------
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@ -4,7 +4,7 @@ EXE=gray-single
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# Objects list
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OBJ= gray-single.o gray_main.o gray-externals.o grayl.o beamdata.o \
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const_and_precisions.o green_func_p.o reflections.o scatterspl.o \
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dispersion.o calcei.o
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dispersion.o calcei.o dqagmv.o
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# Alternative search paths
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vpath %.f90 src
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@ -68,7 +68,7 @@ gray-externals.o: green_func_p.o reflections.o beamdata.o const_and_precisions.o
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green_func_p.o: const_and_precisions.o
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scatterspl.o: const_and_precisions.o
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beamdata.o: const_and_precisions.o
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dispersion.o: calcei.o
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dispersion.o: calcei.o dqagmv.o
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## library name
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## ------------
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@ -4,7 +4,8 @@ LIBFILE=lib$(EXE).a
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# Objects list
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OBJ=gray_main.o gray-externals.o grayl.o reflections.o scatterspl.o \
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beamdata.o green_func_p.o const_and_precisions.o dispersion.o calcei.o
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beamdata.o green_func_p.o const_and_precisions.o dispersion.o \
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calcei.o dqagmv.o
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# Alternative search paths
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vpath %.f90 src
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@ -34,7 +35,7 @@ gray-externals.o: green_func_p.o reflections.o beamdata.o dispersion.o
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green_func_p.o: const_and_precisions.o
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scatterspl.o: const_and_precisions.o
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beamdata.o: const_and_precisions.o
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dispersion.o: calcei.o
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dispersion.o: calcei.o dqagmv.o
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# General object compilation command
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%.o: %.f90
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@ -306,7 +306,19 @@ subroutine diel_tens_fr(xg,yg,mu,npl,e330,cr,ci,epsl,lrm,fast)
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end do
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end do
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!
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! call hermitian(rr,yg,mu,npl,cr,ci,fast,lrm)
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select case(fast)
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case(2:3)
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call hermitian(rr,yg,mu,npl,cr,ci,fast,lrm)
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case(4)
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call hermitian_2(rr,yg,mu,npl,cr,ci,fast,lrm)
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case default
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write(*,*) 'fast dispersion flag unknown value:', fast
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end select
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!
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call antihermitian(ri,yg,mu,npl,cr,ci,lrm)
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!
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@ -572,8 +584,211 @@ subroutine diel_tens_fr(xg,yg,mu,npl,e330,cr,ci,epsl,lrm,fast)
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end subroutine hermitian
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!
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!
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subroutine hermitian_2(rr,yg,mu,npl,cr,ci,fast,lrm)
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!
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implicit none
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! parameters
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integer :: lw,liw,npar
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parameter(lw=5000,liw=lw/4,npar=7)
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real(dp) :: epsa,epsr
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parameter(epsa=0.0d0,epsr=1.0d-4)
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! arguments
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integer :: lrm,fast
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real(dp) :: yg,mu,npl,cr,ci
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real(dp), dimension(-lrm:lrm,0:2,0:lrm) :: rr
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! internal
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integer :: n,m,ih,i,k,n1,nn,llm,neval,ier,last
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integer, dimension(liw) :: iw
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real(dp) :: mu2,mu4,mu6,npl2,dt,bth,bth2,bth4,bth6
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real(dp) :: t,x,s,sy1,sy2,sy3,resfh,epp
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real(dp), dimension(lw) :: w
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real(dp), dimension(npar) :: apar
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!
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do n=-lrm,lrm
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do k=0,2
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do m=0,lrm
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rr(n,k,m)=0.0d0
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end do
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end do
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end do
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!
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llm=min(3,lrm)
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!
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bth2=2.0d0/mu
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bth=sqrt(bth2)
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mu2=mu*mu
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mu4=mu2*mu2
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mu6=mu4*mu2
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!
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n1=1
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if(fast.gt.10) n1=-llm
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!
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apar(1) = yg
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apar(2) = mu
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apar(3) = npl
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apar(4) = cr
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apar(5) = real(n,dp)
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apar(6) = real(m,dp)
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apar(7) = real(ih,dp)
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!
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do n=n1,llm
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nn=abs(n)
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do m=nn,llm
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if(n.eq.0.and.m.eq.0) then
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ih=2
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! call dqagi(fhermit,bound,2,epsa,epsr,resfh,
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call dqagsmv(fhermit,-tmax,tmax,apar,npar,epsa,epsr,resfh,&
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& epp,neval,ier,liw,lw,last,iw,w)
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rr(n,2,m) = resfh
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else
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do ih=0,2
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! call dqagi(fhermit,bound,2,epsa,epsr,resfh,
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call dqagsmv(fhermit,-tmax,tmax,apar,npar,epsa,epsr,resfh,&
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& epp,neval,ier,liw,lw,last,iw,w)
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rr(n,ih,m) = resfh
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end do
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end if
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end do
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end do
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if(fast.gt.10) return
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!
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sy1=1.0d0+yg
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sy2=1.0d0+yg*2.0d0
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sy3=1.0d0+yg*3.0d0
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!
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bth4=bth2*bth2
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bth6=bth4*bth2
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!
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npl2=npl*npl
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!
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rr(0,2,0) = -(1.0d0+bth2*(-1.25d0+1.5d0*npl2)&
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& +bth4*(1.71875d0-6.0d0*npl2+3.75d0*npl2*npl2))
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rr(0,1,1) = -npl*bth2*(1.0d0+bth2*(-2.25d0+1.5d0*npl2))
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rr(0,2,1) = -bth2*(1.0d0+bth2*(-0.5d0+1.5d0*npl2))
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rr(-1,0,1) = -2.0d0/sy1*(1.0d0+bth2/sy1*(-1.25d0+0.5d0*npl2&
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& /sy1)+bth4/sy1*(-0.46875d0+(2.1875d0+0.625d0*npl2)/&
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& sy1-2.625d0*npl2/sy1**2+0.75d0*npl2*npl2/sy1**3))
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rr(-1,1,1) = -npl*bth2/sy1**2*(1.0d0+bth2*(1.25d0-3.5d0/sy1+&
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& 1.5d0*npl2/sy1**2))
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rr(-1,2,1) = -bth2/sy1*(1.0d0+bth2*(1.25d0-1.75d0/sy1+1.5d0*&
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& npl2/sy1**2))
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!
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if(llm.gt.1) then
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!
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rr(0,0,2) = -4.0d0*bth2*(1.0d0+bth2*(-0.5d0+0.5d0*npl2)+&
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& bth4*(1.125d0-1.875d0*npl2+0.75d0*npl2*npl2))
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rr(0,1,2) = -2.0d0*npl*bth4*(1.0d0+bth2*(-1.5d0+1.5d0*npl2))
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rr(0,2,2) = -2.0d0*bth4*(1.0d0+bth2*(0.75d0+1.5d0*npl2))
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rr(-1,0,2) = -4.0d0*bth2/sy1*(1.0d0+bth2*&
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& (1.25d0-1.75d0/sy1+0.5d0*npl2/sy1**2)+bth4*&
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& (0.46875d0-3.28125d0/sy1+(3.9375d0+1.5d0*npl2)/sy1**2&
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& -3.375d0*npl2/sy1**3+0.75d0*npl2*npl2/sy1**4))
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rr(-1,1,2) = -2.0d0*bth4*npl/sy1**2*(1.0d0+bth2*&
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& (3.0d0-4.5d0/sy1+1.5d0*npl2/sy1**2))
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rr(-1,2,2) = -2.0d0*bth4/sy1*(1.0d0+bth2*&
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& (3.0d0-2.25d0/sy1+1.5d0*npl2/sy1**2))
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rr(-2,0,2) = -4.0d0*bth2/sy2*(1.0d0+bth2*&
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& (1.25d0-1.75d0/sy2+0.5d0*npl2/sy2**2)+bth4*&
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& (0.46875d0-3.28125d0/sy2+(3.9375d0+1.5d0*npl2)/sy2**2&
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& -3.375d0*npl2/sy2**3+0.75d0*npl2*npl2/sy2**4))
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rr(-2,1,2) =-2.0d0*bth4*npl/sy2**2*(1.0d0+bth2*&
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& (3.0d0-4.5d0/sy2+1.5d0*npl2/sy2**2))
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rr(-2,2,2) = -2.0d0*bth4/sy2*(1.0d0+bth2*&
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& (3.0d0-2.25d0/sy2+1.5d0*npl2/sy2**2))
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!
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if(llm.gt.2) then
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!
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rr(0,0,3) = -12.0d0*bth4*(1+bth2*(0.75d0+0.5d0*npl2)+bth4*&
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& (1.21875d0-1.5d0*npl2+0.75d0*npl2*npl2))
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rr(0,1,3) = -6.0d0*npl*bth6*(1+bth2*(-0.25d0+1.5d0*npl2))
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rr(0,2,3) = -6.0d0*bth6*(1+bth2*(2.5d0+1.5d0*npl2))
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rr(-1,0,3) = -12.0d0*bth4/sy1*&
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& (1.0d0+bth2*(3.0d0-2.25d0/sy1+0.5d0*npl2/sy1**2)+&
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& bth4*(3.75d0-8.71875d0/sy1+(6.1875d0+2.625d0*npl2)&
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& /sy1**2-4.125d0*npl2/sy1**3+0.75d0*npl2*npl2/sy1**4))
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rr(-1,1,3) = -6.0d0*npl*bth6/sy1**2*&
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& (1.0d0+bth2*(5.25d0-5.5d0/sy1+1.5d0*npl2/sy1**2))
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rr(-1,2,3) = -6.0d0*bth6/sy1*&
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& (1.0d0+bth2*(5.25d0-2.75d0/sy1+1.5d0*npl2/sy1**2))
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!
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rr(-2,0,3) = -12.0d0*bth4/sy2*&
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& (1.0d0+bth2*(3.0d0-2.25d0/sy2+0.5d0*npl2/sy2**2)+&
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& bth4*(3.75d0-8.71875d0/sy2+(6.1875d0+2.625d0*npl2)&
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& /sy2**2-4.125d0*npl2/sy2**3+0.75d0*npl2*npl2/sy2**4))
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rr(-2,1,3) = -6.0d0*npl*bth6/sy2**2*&
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& (1.0d0+bth2*(5.25d0-5.5d0/sy2+1.5d0*npl2/sy2**2))
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rr(-2,2,3) = -6.0d0*bth6/sy2*&
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& (1.0d0+bth2*(5.25d0-2.75d0/sy2+1.5d0*npl2/sy2**2))
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!
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rr(-3,0,3) = -12.0d0*bth4/sy3*&
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& (1.0d0+bth2*(3.0d0-2.25d0/sy3+0.5d0*npl2/sy3**2)+&
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& bth4*(3.75d0-8.71875d0/sy3+(6.1875d0+2.625d0*npl2)&
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& /sy3**2-4.125d0*npl2/sy3**3+0.75d0*npl2*npl2/sy3**4))
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rr(-3,1,3) = -6.0d0*npl*bth6/sy3**2*&
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& (1.0d0+bth2*(5.25d0-5.5d0/sy3+1.5d0*npl2/sy3**2))
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rr(-3,2,3) = -6.0d0*bth6/sy3*&
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& (1.0d0+bth2*(5.25d0-2.75d0/sy3+1.5d0*npl2/sy3**2))
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!
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end if
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end if
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!
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return
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end
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!
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!
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function fhermit(t,apar,npar)
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!
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implicit none
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! arguments
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integer npar
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real(dp) t,fhermit
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real(dp), dimension(npar) :: apar
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! internal
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integer :: n,m,ih
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integer nn
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real(dp) :: yg,mu,npl,cr
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real(dp) :: mu2,mu4,mu6,bth,bth2,rxt,x,upl2,upl,gx
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real(dp) :: exdxdt,gr,zm,s,zm2,zm3,fe0m,ffe,uplh
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!
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yg = apar(1)
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mu = apar(2)
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npl = apar(3)
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cr = apar(4)
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n = int(apar(5))
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m = int(apar(6))
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ih = int(apar(7))
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!
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bth2=2.0d0/mu
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bth=sqrt(bth2)
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mu2=mu*mu
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mu4=mu2*mu2
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mu6=mu4*mu2
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!
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rxt=sqrt(1.0d0+t*t/(2.0d0*mu))
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x = t*rxt
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upl2=bth2*x**2
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upl=bth*x
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gx=1.0d0+t*t/mu
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exdxdt=cr*exp(-t*t)*gx/rxt
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nn=abs(n)
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gr=npl*upl+n*yg
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zm=-mu*(gx-gr)
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s=mu*(gx+gr)
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zm2=zm*zm
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zm3=zm2*zm
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call calcei3(zm,fe0m)
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ffe=0.0d0
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uplh=upl**ih
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if(n.eq.0.and.m.eq.0) ffe=exdxdt*fe0m*upl2
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if(m.eq.1) ffe=(1.0d0+s*(1.0d0-zm*fe0m))*uplh/mu2
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if(m.eq.2) ffe=(6.0d0-2.0d0*zm+4.0d0*s &
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& +s*s*(1.0d0+zm-zm2*fe0m))*uplh/mu4
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if(m.eq.3) ffe=(18.0d0*s*(s+4.0d0-zm)+6.0d0*(20.0d0-8.0d0*zm+zm2) &
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& +s**3*(2.0d0+zm+zm2-zm3*fe0m))*uplh/mu6
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fhermit= exdxdt*ffe
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return
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end
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!
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!
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subroutine antihermitian(ri,yg,mu,npl,cr,ci,lrm)
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1695
src/dqagmv.f
Normal file
1695
src/dqagmv.f
Normal file
File diff suppressed because it is too large
Load Diff
@ -5071,199 +5071,6 @@ c
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c
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c
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c
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subroutine hermitian_2(rr,lrm)
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implicit real*8(a-h,o-z)
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parameter(tmax=5,npts=500)
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dimension rr(-lrm:lrm,0:2,0:lrm)
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parameter(epsa=0.0d0,epsr=1.0d-4)
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parameter (lw=5000,liw=lw/4)
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dimension w(lw),iw(liw)
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external fhermit
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c
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common/ygyg/yg
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common/amut/amu
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common/nplr/anpl,anpr
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common/warm/iwarm,ilarm
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common/cri/cr,ci
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common/nmhermit/n,m,ih
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c
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do n=-lrm,lrm
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do k=0,2
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do m=0,lrm
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rr(n,k,m)=0.0d0
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end do
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end do
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end do
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c
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llm=min(3,lrm)
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c
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bth2=2.0d0/amu
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bth=sqrt(bth2)
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amu2=amu*amu
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amu4=amu2*amu2
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amu6=amu4*amu2
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c
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n1=1
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if(iwarm.gt.10) n1=-llm
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c
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do n=n1,llm
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nn=abs(n)
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do m=nn,llm
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if(n.eq.0.and.m.eq.0) then
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ih=2
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c call dqagi(fhermit,bound,2,epsa,epsr,resfh,
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call dqags(fhermit,-tmax,tmax,epsa,epsr,resfh,
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. epp,neval,ier,liw,lw,last,iw,w)
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rr(n,2,m) = resfh
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else
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do ih=0,2
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c call dqagi(fhermit,bound,2,epsa,epsr,resfh,
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call dqags(fhermit,-tmax,tmax,epsa,epsr,resfh,
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. epp,neval,ier,liw,lw,last,iw,w)
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rr(n,ih,m) = resfh
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end do
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end if
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end do
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end do
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if(iwarm.gt.10) return
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c
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sy1=1.0d0+yg
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sy2=1.0d0+yg*2.0d0
|
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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
|
||||
|
||||
Loading…
Reference in New Issue
Block a user