Adding some comments to array names (essentially copying them from the xct07.f).

sammy/src/xct/XctCrossCalc_M.f90

@@ -33,7 +33,12 @@ module XctCrossCalc_M
       integer::Ifcoul = 0   ! do we need to calculate coulomb data
       logical::addElimKapt  !ADD ELIMINATED CAPTURE CHANNEL TO FINA
 
-      real(kind=8),allocatable,dimension(:,:)::Alj   ! used to count the number of Clebsch-Gordon coefficients
+      real(kind=8),allocatable,dimension(:,:)::Alj   ! Eqs. (II B1 b.13) and (II B1 b.4) for 1- and 2-channel case, respectively [SAMMY 8 Users' Guide]
+
+! *** Alj = (2*J+1) * (2*el+1) *del2 (el, s, J) in one-channel case
+! *** Alj = (2*J+1) * sqrt { (2*el +1) *del2 (el , s , J) } * 2
+! ***               * sqrt { (2*el'+1) *del2 (el', s', J) } in 2-channel
+
       real(kind=8),allocatable,dimension(:)::Xx      ! 0.0 or if SHIFT RESONANCE ENERGIES VIA SHIFT FACTOR, the factor
       real(kind=8),allocatable,dimension(:)::XxHelper    ! helper array to calculate Xx
       real(kind=8),allocatable,dimension(:)::Xlmn
@@ -49,35 +54,81 @@ module XctCrossCalc_M
      real(kind=8),allocatable,dimension(:)::Difen   ! resonance energy minus currrent energy or 0 if resonance is not included in calculation
 
 
-     real(kind=8),allocatable,dimension(:,:)::Pi, Pr
+     real(kind=8),allocatable,dimension(:,:)::Pi, Pr ! Penetrability, P, real and imaginary part thereof.
 
-     real(kind=8),allocatable,dimension(:,:)::Cscs
+     real(kind=8),allocatable,dimension(:,:)::Cscs  ! Looks like Cos(a + b), Sin(a + b), where b may be phi
      real(kind=8),allocatable,dimension(:)::Sinsqr  ! sin^2( phase shift )
      real(kind=8),allocatable,dimension(:)::Sin2ph  ! sin( 2 * phase shift )
-     real(kind=8),allocatable,dimension(:)::Dphi
-     real(kind=8),allocatable,dimension(:)::Sinphi, Cosphi
+     real(kind=8),allocatable,dimension(:)::Dphi ! partial derivative of Phi wrt Rho
+     real(kind=8),allocatable,dimension(:)::Sinphi, Cosphi ! ( sin, cos ) ( phase shift )
      real(kind=8),allocatable,dimension(:)::Dpdr ! partial P wrt Rho
      real(kind=8),allocatable,dimension(:)::Dsdr ! partial S wrt Rho
 
-     real(kind=8),allocatable,dimension(:,:)::Rmat, Ymat, Yinv
-     real(kind=8),allocatable,dimension(:)::Rootp
-     real(kind=8),allocatable,dimension(:)::Elinvr,Elinvi
-     real(kind=8),allocatable,dimension(:)::Psmall
-     real(kind=8),allocatable,dimension(:)::Xxxxr, Xxxxi
-     real(kind=8),allocatable,dimension(:,:)::Xqr,Xqi
-     real(kind=8),allocatable,dimension(:,:)::Pxrhor, Pxrhoi
-     real(kind=8),allocatable,dimension(:,:)::Qr, Qi
-     real(kind=8),allocatable,dimension(:,:)::Tr, Ti
-     real(kind=8),allocatable,dimension(:,:,:)::Tx
-     real(kind=8),allocatable,dimension(:)::Ddddd, Ddddtl
-     logical,allocatable, dimension(:,:)::useChannel
-     real(kind=8),allocatable,dimension(:,:)::Prei, Prer
-     real(kind=8),allocatable,dimension(:)::Dsf
-     real(kind=8),allocatable,dimension(:,:,:)::Dsfx, Dstx
-     real(kind=8),allocatable,dimension(:,:)::Dstt, Dst
-     real(kind=8),allocatable,dimension(:)::Xden
-
-     real(kind=8),allocatable,dimension(:)::termf, termfx
+     real(kind=8),allocatable,dimension(:,:)::Rmat ! Rmat = SUM Beta*Beta/((DEL E)-i(Gamgam/2))
+     real(kind=8),allocatable,dimension(:,:)::Ymat ! Ymat = Linv - Rmat , Linv = 1/(S-B+IP)
+     real(kind=8),allocatable,dimension(:,:)::Yinv ! Yinv = 1 / Ymat
+     real(kind=8),allocatable,dimension(:)::Rootp  ! Rmat = SUM Beta*Beta/((DEL E)-i(Gamgam/2))
+     real(kind=8),allocatable,dimension(:)::Elinvr,Elinvi ! Real and imaginary part of Linv
+     real(kind=8),allocatable,dimension(:)::Psmall ! Is Psmall used?
+
+! The following comments were copied from the preamble of the Subroutine Setxqx in mxct09.f90: 
+! ***            XQ   = Yinv * Rmat       and
+! ***            XXXX = P/L + sqrt(P)/L         (1/L-R)**-1          sqrt(P)/L
+! ***                 =       sqrt(P)/(S-B+IP) * Yinv       * Rmat * sqrt(P)
+! ***                 =       sqrt(P)/L        * XQ                * sqrt(P)
+!
+! ***            Note that the matrix W defined in SAMMY manual is given
+! ***                 by W(c,c') = delta(c,c') + 2i XXXX(c,c')
+! ***                 as in Eq. (II.B1.3) in SAMMY manual R7
+!
+! ***         ie W    = I + 2i XXXX
+
+     real(kind=8),allocatable,dimension(:)::Xxxxr, Xxxxi ! *** Xxxx = sqrt(P)/L  * xq * sqrt(P) ... symmetric
+     real(kind=8),allocatable,dimension(:,:)::Xqr,Xqi    ! *** Xq   = (L**-1-R)**-1 * R ... note asymmetry
+     real(kind=8),allocatable,dimension(:,:)::Pxrhor, Pxrhoi ! Pxrho_ = partial(Xxxx_) wrt (Rho)
+
+! *** Purpose -- Generate QR,QI =
+! ***                   SQRT(P)/(S-B+IP) * Yinv*Yinv * SQRT(P)/(S-B+IP)
+! ***
+! *** That is, Qr(KL,Ij) is (real part of) partial of XXXX(Kl) wrt R(Ij)
+
+     real(kind=8),allocatable,dimension(:,:)::Qr, Qi ! see above
+
+! ***    For angular distributions
+! ***      prtl (1-U)(kl) wrt R(ij) = prtl(1-U)(kl) wrt X(kl) * prtl X wrt R
+! ***      Tx(1,ij,kl) = prtl Re(1-U) wrt ReR = -prtl Im (1-U) wrt ImR
+! ***      Tx(2,ij,kl) = prtl Re(1-U) wrt ImR =  prtl Re (1-U) wrt ReR
+
+     real(kind=8),allocatable,dimension(:,:,:)::Tx ! see above
+
+! *** generate Deriv(k,Itzero) & Deriv(k,Ilzero); ditto Derivx
+! *** ie Deriv(k,i) = partial Crss(k) wrt either Tzero or LZero
+! ***    Calculating Deriv(K,I?z) = (2T)(Pre)(Z)(E?z), where
+! ***               Tr   + i Ti   = (partial sigmaX  wrt R) * Half
+! ***               Prer + i Prei =  partial R       wrt E
+! ***               Z             =  partial E       wrt sqrt(E) = 2*sqrt(E)
+! ***               Etz           =  partial sqrt(E) wrt  tzero
+! ***               ELz           =  partial sqrt(E) wrt eLzero
+! ***    but do not include the E?z part yet, or missing {dgoj * 1/E^2},
+! ***    and store in Ddddtl
+
+     real(kind=8),allocatable,dimension(:,:)::Tr, Ti ! see above
+     real(kind=8),allocatable,dimension(:,:)::Prei, Prer ! see above
+     real(kind=8),allocatable,dimension(:)::Ddddd, Ddddtl ! see above
+
+     logical,allocatable, dimension(:,:)::useChannel 
+
+! *** generate derivatives of Crss & Crssx wrt rho
+! *** Dsf (   I) = Deriv of Crss(1   ) wrt rho via phi(I)
+! *** Dst (J ,I) = Deriv of Crss(J   ) wrt rho via P(I) & S(I)
+! *** Dstt(Jj,I) = Deriv of Crss(Jj+2) wrt rho via P(I) & S(I)
+
+     real(kind=8),allocatable,dimension(:)::Dsf  ! see above
+     real(kind=8),allocatable,dimension(:,:)::Dstt, Dst ! see above
+     real(kind=8),allocatable,dimension(:,:,:)::Dsfx, Dstx ! ***          Note that the "f" in Dsf is for "effective" rho, i.e., radius.
+     real(kind=8),allocatable,dimension(:)::Xden ! The inverse of Eq. (II D1 b.7) = 1/[(E-E_resonance)^2 + (gamma/2)^2]
+
+     real(kind=8),allocatable,dimension(:)::termf, termfx ! termf(1) = elastic, (2) = absorption, (3) = reaction channels; "x" number of parameters (Numdet) of the ETA detector efficiency is greater than 0. 
 
      real(kind=8),allocatable,dimension(:,:,:)::crossInternal           ! used to keep track of cross section+deriv for one row and all channels
      real(kind=8),allocatable,dimension(:,:,:,:,:)::angInternal         ! used to keep track of angula section+deriv for one row and all channels
@@ -91,7 +142,7 @@ module XctCrossCalc_M
 
      ! direct capture arrays. Todo update the direct capture to read and store data in C++ class
      logical::hasDirectCapture
-     real(kind=8),allocatable,dimension(:,:)::Edrcpt
+     real(kind=8),allocatable,dimension(:,:)::Edrcpt 
      real(kind=8),allocatable,dimension(:,:)::Cdrcpt
      real(kind=8),allocatable,dimension(:)::Xdrcpt
      integer,allocatable,dimension(:)::Ndrcpt