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https://github.com/LCPQ/quantum_package
synced 2024-08-25 14:01:46 +02:00
delete the **** parameters
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185616f7e3
commit
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@ -184,15 +184,10 @@ implicit none
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! _|_ | | |_) |_| |_
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! _|_ | | |_) |_| |_
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! |
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! |
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double precision, intent(in) :: a(3),g_a,b(3),g_b,c(3)
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double precision, intent(in) :: a(3),g_a,b(3),g_b,c(3)
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integer kmax_max,lmax_max,ntot_max,nkl_max
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parameter (kmax_max=2,lmax_max=2,nkl_max=4)
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parameter (ntot_max=10)
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integer, intent(in) :: lmax,kmax,n_kl(kmax,0:lmax)
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integer, intent(in) :: lmax,kmax,n_kl(kmax,0:lmax)
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integer, intent(in) :: n_a(3),n_b(3)
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integer, intent(in) :: n_a(3),n_b(3)
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double precision, intent(in) :: v_kl(kmax,0:lmax),dz_kl(kmax,0:lmax)
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double precision, intent(in) :: v_kl(kmax,0:lmax),dz_kl(kmax,0:lmax)
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!
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!
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! | _ _ _. | _
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! | _ _ _. | _
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! |_ (_) (_ (_| | (/_
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! |_ (_) (_ (_| | (/_
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@ -204,35 +199,36 @@ double precision :: areal,freal,breal,t1,t2,int_prod_bessel, int_prod_bessel_num
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double precision :: arg
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double precision :: arg
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integer :: ntot,ntotA,m,mu,mup,k1,k2,k3,ntotB,k1p,k2p,k3p,lambda,lambdap,ktot
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integer :: ntot,ntotA,m,mu,mup,k1,k2,k3,ntotB,k1p,k2p,k3p,lambda,lambdap,ktot
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integer :: l,k
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integer :: l,k, nkl_max
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! _
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! _
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! |_) o _ _. ._ ._ _.
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! |_) o _ _. ._ ._ _.
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! |_) | (_| (_| | | (_| \/
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! |_) | (_| (_| | | (_| \/
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! _| /
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! _| /
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double precision array_coefs_A(0:ntot_max,0:ntot_max,0:ntot_max)
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double precision, allocatable :: array_coefs_A(:,:,:)
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double precision array_coefs_B(0:ntot_max,0:ntot_max,0:ntot_max)
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double precision, allocatable :: array_coefs_B(:,:,:)
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double precision, allocatable :: array_R(:,:,:,:,:)
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double precision, allocatable :: array_R(:,:,:,:,:)
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double precision, allocatable :: array_I_A(:,:,:,:,:)
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double precision, allocatable :: array_I_A(:,:,:,:,:)
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double precision, allocatable :: array_I_B(:,:,:,:,:)
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double precision, allocatable :: array_I_B(:,:,:,:,:)
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!=!=!=!=!=!=!=!=!=!
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! A l l o c a t e !
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!=!=!=!=!=!=!=!=!=!
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allocate (array_R(0:ntot_max+nkl_max,kmax_max,0:lmax_max,0:lmax_max+ntot_max,0:lmax_max+ntot_max))
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allocate (array_I_A(0:lmax_max+ntot_max,-(lmax_max+ntot_max):lmax_max+ntot_max,0:ntot_max,0:ntot_max,0:ntot_max))
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allocate (array_I_B(0:lmax_max+ntot_max,-(lmax_max+ntot_max):lmax_max+ntot_max,0:ntot_max,0:ntot_max,0:ntot_max))
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! _
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! _
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! / _. | _ |
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! / _. | _ |
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! \_ (_| | (_ |_| |
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! \_ (_| | (_ |_| |
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!
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!
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print*, "lmax",lmax
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print*, "kmax",kmax
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print*, "n_kl",n_kl
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print*, "n_a",n_a
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print*, "n_b",n_b
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print*, "v_kl",v_kl
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print*, "dz_kl",dz_kl
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fourpi=4.d0*dacos(-1.d0)
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fourpi=4.d0*dacos(-1.d0)
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ac=dsqrt((a(1)-c(1))**2+(a(2)-c(2))**2+(a(3)-c(3))**2)
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ac=dsqrt((a(1)-c(1))**2+(a(2)-c(2))**2+(a(3)-c(3))**2)
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bc=dsqrt((b(1)-c(1))**2+(b(2)-c(2))**2+(b(3)-c(3))**2)
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bc=dsqrt((b(1)-c(1))**2+(b(2)-c(2))**2+(b(3)-c(3))**2)
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@ -249,8 +245,21 @@ ntotA=n_a(1)+n_a(2)+n_a(3)
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ntotB=n_b(1)+n_b(2)+n_b(3)
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ntotB=n_b(1)+n_b(2)+n_b(3)
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ntot=ntotA+ntotB
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ntot=ntotA+ntotB
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if(ntot.gt.ntot_max)stop 'increase ntot_max'
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nkl_max=4
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!=!=!=!=!=!=!=!=!=!
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! A l l o c a t e !
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!=!=!=!=!=!=!=!=!=!
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allocate (array_coefs_A(0:ntot,0:ntot,0:ntot))
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allocate (array_coefs_B(0:ntot,0:ntot,0:ntot))
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allocate (array_R(0:ntot+nkl_max,kmax,0:lmax,0:lmax+ntot,0:lmax+ntot))
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allocate (array_I_A(0:lmax+ntot,-(lmax+ntot):lmax+ntot,0:ntot,0:ntot,0:ntot))
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allocate (array_I_B(0:lmax+ntot,-(lmax+ntot):lmax+ntot,0:ntot,0:ntot,0:ntot))
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print*, ac,bc
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if(ac.eq.0.d0.and.bc.eq.0.d0)then
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if(ac.eq.0.d0.and.bc.eq.0.d0)then
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@ -584,6 +593,7 @@ endif
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! | | | | (_| | | _> (/_
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! | | | | (_| | | _> (/_
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!
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!
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deallocate (array_R, array_I_A, array_I_B)
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deallocate (array_R, array_I_A, array_I_B)
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deallocate (array_coefs_A, array_coefs_B)
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return
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return
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end
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end
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@ -598,15 +608,33 @@ end
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double precision function Vpseudo_num(npts,rmax,lmax,kmax,v_kl,n_kl,dz_kl,a,n_a,g_a,b,n_b,g_b,c)
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double precision function Vpseudo_num(npts,rmax,lmax,kmax,v_kl,n_kl,dz_kl,a,n_a,g_a,b,n_b,g_b,c)
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implicit none
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implicit none
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integer kmax_max,lmax_max
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parameter (kmax_max=2,lmax_max=2)
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integer lmax,kmax, n_kl(kmax_max,0:lmax_max),l,m,k,kk
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! ___
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double precision v_kl(kmax_max,0:lmax_max),dz_kl(kmax_max,0:lmax_max)
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! | ._ ._ _|_
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double precision a(3),g_a,b(3),g_b,c(3),ac(3),bc(3)
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! _|_ | | |_) |_| |_
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integer n_a(3),n_b(3),npts
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! |
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double precision rmax,dr,sum,rC
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double precision, intent(in) :: a(3),g_a,b(3),g_b,c(3)
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integer, intent(in) :: lmax,kmax,npts
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integer, intent(in) :: n_a(3),n_b(3), n_kl(kmax,0:lmax)
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double precision, intent(in) :: v_kl(kmax,0:lmax),dz_kl(kmax,0:lmax)
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double precision, intent(in) :: rmax
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!
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! | _ _ _. | _
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! |_ (_) (_ (_| | (/_
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!
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integer :: l,m,k,kk
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double precision ac(3),bc(3)
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double precision dr,sum,rC
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double precision overlap_orb_ylm_brute
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double precision overlap_orb_ylm_brute
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! _
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! / _. | _ |
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! \_ (_| | (_ |_| |
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!
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do l=1,3
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do l=1,3
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ac(l)=a(l)-c(l)
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ac(l)=a(l)-c(l)
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bc(l)=b(l)-c(l)
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bc(l)=b(l)-c(l)
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