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njoy · Apr 19, 2024 · e7f5f61 · e7f5f61
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diff --git a/.github/workflows/ContinuousIntegration.yml b/.github/workflows/ContinuousIntegration.yml
@@ -27,7 +27,7 @@ jobs:
       run: |
         which ${{matrix.vFortran}}
         ${{matrix.vFortran}} --version
-    - uses: actions/checkout@v3
+    - uses: actions/checkout@v4
     - name: mkdir bin
       run: mkdir bin
     - name: cmake

diff --git a/ReleaseNotes.md b/ReleaseNotes.md
@@ -5,6 +5,12 @@ Given here are some release notes for NJOY2016. Each release is made through a f
 This update fixes the following issues:
   - Corrected a typo in the gateff subroutine in thermr (changed 1220 into 1200, see issue #76)
 
+In addition, this update made added the following features and changes:
+  - A small change to the NXS array for continuous energy and photonuclear ACE files (iopt = 1 and 5): in both cases, the isomeric state S, atom number Z and mass number A are now stored in NXS(9), NXS(10) and NXS(11) respectively.
+  - A new input option for acer was introduced for setting the zaid identifier of the continuous energy and photonuclear ACE files (iopt = 1 and 5):
+      - use za in the zaid regardless of the metastable state of the nuclide (default, this is how NJOY has always worked)
+      - use the metastable zaid rules (MCNP 6.3 or lower) in which we use za for ground state nuclides and use za + 300 + s * 100 for metastable nuclides (Am242 and Am242m are exceptions to this rule, for these we use 95642 and 95242 respectively)
+
 ## [NJOY2016.74](https://github.com/njoy/NJOY2016/pull/327)
 This update fixes the following issues:
   - Correct the Euler-Mascheroni constant (this has an influence on the Coulomb wave functions and therefore influences LRF=7 evaluations that have charged particle channels)

diff --git a/docs/testDescription.md b/docs/testDescription.md
@@ -381,3 +381,33 @@ Tests 75 was added to track an issue found in ACER when multiple temperatures we
 [[input](https://raw.githubusercontent.com/njoy/NJOY2016/master/tests/76/input)]
 
 Tests 76 was added to track a few CCCCR issues. Unfortunately, these issues were related to a binary file so we cannot verify the content of the file just yet. At the very least, we now have a test to verify if CCCCR actually runs (there was previously a crash on this input).
+
+## Test Problem 78
+
+[[input](https://raw.githubusercontent.com/njoy/NJOY2016/master/tests/78/input)]
+
+Tests 78 was added to track an ACER issue for heating numbers in photonuclear file. When calculating heating numbers based on ENDF LAW=2, ACER assumed that the yield of the secondary particle is always 1, which is correct in all cases except when MT5 is used as a lumped reaction.
+
+## Test Problem 79
+
+[[input](https://raw.githubusercontent.com/njoy/NJOY2016/master/tests/79/input)]
+
+Tests 79 was added to track an issue in HEATR when calculating the average outgoing energy from a distribution that uses multiple interpolation ranges in TAB1 records. Mainly nuclides using MF5 instead of MF6 are impacted by this change (e.g. Sn119 and Sn122 from ENDF/B-VIII.0).
+
+## Test Problem 80
+
+[[input](https://raw.githubusercontent.com/njoy/NJOY2016/master/tests/80/input)]
+
+Tests 80 was added to track an issue in LEAPR that caused an inifite loop to occur when the beta grid contains very small values.
+
+## Test Problem 81
+
+[[input](https://raw.githubusercontent.com/njoy/NJOY2016/master/tests/81/input)]
+
+Tests 81 was added as a test for background R-matrix elements that were added to the ENDF/B-VIII.1 Sr88 evaluation.
+
+## Test Problem 82
+
+[[input](https://raw.githubusercontent.com/njoy/NJOY2016/master/tests/82/input)]
+
+Tests 82 was added to track the new ZAID options in ACER added in NJOY2016.75.
diff --git a/src/acefc.f90 b/src/acefc.f90
@@ -17,7 +17,7 @@ module acefc
    real(kr)::aw0,tz
 
    ! parameters for continuous nxs block
-   integer::len2,izaid,nes,ntr,nr,ntrp,ntype,ndnf,nxsd(8)
+   integer::len2,izaid,nes,ntr,nr,ntrp,ntype,ndnf,is,iz,ia,nxsd(5)
 
    ! parameters for continuous jxs block
    integer::esz,nu,mtr,lqr,tyr,lsig,sig,land,and,ldlw,dlw,&
@@ -85,7 +85,7 @@ module acefc
 contains
 
    subroutine acetop(nendf,npend,ngend,nace,ndir,iprint,itype,mcnpx,&
-     suff,hk,izn,awn,matd,tempd,newfor,iopp,ismooth,thin)
+     suff,hk,izn,awn,matd,tempd,newfor,iopp,ismooth,thin,izaoption)
    !--------------------------------------------------------------------
    ! Prepare an ACE fast continuous file.
    !--------------------------------------------------------------------
@@ -94,7 +94,7 @@ subroutine acetop(nendf,npend,ngend,nace,ndir,iprint,itype,mcnpx,&
    use endf   ! provides endf routines and variables
    ! externals
    integer::nendf,npend,ngend,nace,ndir,iprint,itype,matd,newfor,iopp,ismooth,i
-   integer::mcnpx
+   integer::mcnpx,izaoption
    real(kr)::suff
    character(70)::hk
    integer::izn(16)
@@ -205,7 +205,7 @@ subroutine acetop(nendf,npend,ngend,nace,ndir,iprint,itype,mcnpx,&
    call atend(mscr,0)
 
    !--load ace data into memory.
-   call acelod(mscr,suff,matd,tempd,newfor,mcnpx,ismooth)
+   call acelod(mscr,suff,matd,tempd,newfor,mcnpx,ismooth,izaoption)
 
    !--print ace file.
    if (iprint.gt.0) call aceprt(hk)
@@ -286,17 +286,25 @@ subroutine first(nendf,npend,nout,nethr,itab,matd,tempd,newfor,iopp)
       call contio(npend,0,0,scr,nb,nw)
       if (math.ne.matd)&
         call error('first','desired temperature not found.',' ')
-      za=scr(1)
-      za=nint(za)
+      za=nint(scr(1))
       awr=scr(2)
       nxp=n2h
       jscr=7
-      if (iverf.ge.5) call contio(npend,0,0,scr(jscr),nb,nw)
-      if (iverf.ge.5) jscr=jscr+6
-      if (iverf.eq.6) call contio(npend,0,0,scr(jscr),nb,nw)
-      if (iverf.eq.6) jscr=jscr+6
+      is=0
+      if (iverf.ge.5) then
+         call contio(npend,0,0,scr(jscr),nb,nw)
+         jscr=jscr+6
+         is=nint(scr(10)) ! endf-5 and endf-6 both store liso
+      endif
+      if (iverf.eq.6) then
+         call contio(npend,0,0,scr(jscr),nb,nw)
+         jscr=jscr+6
+      endif
       awi=1
       izai=1
+      izaid=nint(scr(1))
+      ia=mod(izaid,1000)
+      iz=(izaid-ia)/1000
       if (iverf.eq.6) then
          awi=scr(13)
          nlib=nint(scr(17))
@@ -4879,7 +4887,7 @@ subroutine gamout(ngend,nendf,nout,nf12c,matd)
    return
    end subroutine gamout
 
-   subroutine acelod(nin,suff,matd,tempd,newfor,mcnpx,ismooth)
+   subroutine acelod(nin,suff,matd,tempd,newfor,mcnpx,ismooth,izaoption)
    !-------------------------------------------------------------------
    ! Load data in ace format from the input file.
    !-------------------------------------------------------------------
@@ -4888,7 +4896,7 @@ subroutine acelod(nin,suff,matd,tempd,newfor,mcnpx,ismooth)
    use util ! repoz,dater,error,skiprz,sigfig
    use endf ! provides endf routines and variables
    ! externals
-   integer::nin,matd,newfor,mcnpx,ismooth
+   integer::nin,matd,newfor,mcnpx,ismooth,izaoption
    real(kr)::suff,tempd
    ! internals
    integer::nwscr,nnu,nnup,kfis,mtnr,mtntr,i,nnud,nnf
@@ -4918,18 +4926,28 @@ subroutine acelod(nin,suff,matd,tempd,newfor,mcnpx,ismooth)
    nnex=0
    nwscr=1000000
    allocate(scr(nwscr))
-   do i=1,8
+   do i=1,5
       nxsd(i)=0
    enddo
    do i=1,2
       jxsd(i)=0
    enddo
    call repoz(nin)
-   iza=nint(za)
+   iza=izaid
    aw0=awr
    write(hm,'(''   mat'',i4)') matd
    tz=tempd*bk/emev
-   zaid=iza+suff
+   zaid=izaid+suff
+   if (izaoption.eq.1.and.is.gt.0) then
+      zaid=izaid+300+100*is+suff
+   endif
+   if (izaoption.eq.1.and.izaid.eq.95242) then
+      if (is.eq.0) then
+         zaid=izaid+400+suff
+      elseif (is.eq.1) then
+         zaid=izaid+suff
+      endif
+   endif
    if (mcnpx.eq.0) then
       if (izai.eq.1) then
          write(hz,'(f9.2,''c'')') zaid
@@ -4968,7 +4986,6 @@ subroutine acelod(nin,suff,matd,tempd,newfor,mcnpx,ismooth)
       endif
    endif
    ntrp=ntrpp
-   izaid=nint(za)
    call dater(hdt)
    hd='  '//hdt
 
@@ -11076,9 +11093,10 @@ subroutine aceprt(hk)
      &6x,''*                     *'',9x,''ntrp'',i10/&
      &6x,''*     processed by    *'',8x,''ntype'',i10/&
      &6x,''*                     *'',9x,''ndnf'',i10/&
-     &6x,''*        njoy         *'',10x,''esz'',i10/&
-     &6x,''*                     *'',11x,''nu'',i10/&
-     &6x,''***********************'',10x,''mtr'',i10/&
+     &6x,''*        njoy         *'',12x,''z'',i10/&
+     &6x,''*                     *'',12x,''a'',i10/&
+     &6x,''***********************'',12x,''s'',i10/&
+     &39x,''esz'',i10/40x,''nu'',i10/39x,''mtr'',i10/&
      &39x,''lqr'',i10/39x,''tyr'',i10/38x,''lsig'',i10/&
      &39x,''sig'',i10/38x,''land'',i10/39x,''and'',i10/&
      &38x,''ldlw'',i10//39x,''dlw'',i10/39x,''gpd'',i10/&
@@ -11089,7 +11107,7 @@ subroutine aceprt(hk)
      &37x,''dndat'',i10/38x,''ldnd'',i10/39x,''dnd'',i10/&
      &37x,''ptype'',i10/38x,''ntro'',i10/37x,''ploct'',i10///&
      &6x,''hk---'',a70)')&
-     hz,aw0,tz,hd,hm,len2,nes,ntr,nr,ntrp,ntype,ndnf,esz,&
+     hz,aw0,tz,hd,hm,len2,nes,ntr,nr,ntrp,ntype,ndnf,iz,ia,is,esz,&
      nu,mtr,lqr,tyr,lsig,sig,land,and,ldlw,dlw,gpd,mtrp,lsigp,&
      sigp,landp,andp,ldlwp,dlwp,yp,fis,end,iurpt,nud,dndat,ldnd,&
      dnd,ptype,ntro,ploct,hk
@@ -12938,7 +12956,7 @@ subroutine aceout(itype,nace,ndir,hk,izn,awn,mcnpx)
       endif
       write(nout,'(4(i7,f11.0))') (izn(i),awn(i),i=1,16)
       write(nout,'(8i9)')&
-        len2,izaid,nes,ntr,nr,ntrp,ntype,ndnf,(nxsd(i),i=1,8),&
+        len2,izaid,nes,ntr,nr,ntrp,ntype,ndnf,is,iz,ia,(nxsd(i),i=1,5),&
         esz,nu,mtr,lqr,tyr,lsig,sig,land,and,ldlw,dlw,&
         gpd,mtrp,lsigp,sigp,landp,andp,ldlwp,dlwp,yp,fis,end,&
         iurpt,nud,dndat,ldnd,dnd,(jxsd(i),i=1,2),ptype,ntro,ploct
@@ -12956,14 +12974,14 @@ subroutine aceout(itype,nace,ndir,hk,izn,awn,mcnpx)
       if (mcnpx.eq.0) then
          write(nout) hz(1:10),aw0,tz,hd,hk,hm,&
            (izn(i),awn(i),i=1,16),&
-           len2,izaid,nes,ntr,nr,ntrp,ntype,ndnf,(nxsd(i),i=1,8),&
+           len2,izaid,nes,ntr,nr,ntrp,ntype,ndnf,is,iz,ia,(nxsd(i),i=1,5),&
            esz,nu,mtr,lqr,tyr,lsig,sig,land,and,ldlw,dlw,&
            gpd,mtrp,lsigp,sigp,landp,andp,ldlwp,dlwp,yp,fis,end,&
            iurpt,nud,dndat,ldnd,dnd,(jxsd(i),i=1,2),ptype,ntro,ploct
       else
          write(nout) hz(1:13),aw0,tz,hd,hk,hm,&
            (izn(i),awn(i),i=1,16),&
-           len2,izaid,nes,ntr,nr,ntrp,ntype,ndnf,(nxsd(i),i=1,8),&
+           len2,izaid,nes,ntr,nr,ntrp,ntype,ndnf,is,iz,ia,(nxsd(i),i=1,5),&
            esz,nu,mtr,lqr,tyr,lsig,sig,land,and,ldlw,dlw,&
            gpd,mtrp,lsigp,sigp,landp,andp,ldlwp,dlwp,yp,fis,end,&
            iurpt,nud,dndat,ldnd,dnd,(jxsd(i),i=1,2),ptype,ntro,ploct
@@ -13926,7 +13944,7 @@ subroutine acefix(nin,itype,nout,ndir,iprint,nplot,suff,&
       endif
       read (nin,'(4(i7,f11.0))') (izo(i),awo(i),i=1,16)
       read (nin,'(8i9)')&
-        len2,izaid,nes,ntr,nr,ntrp,ntype,ndnf,(nxsd(i),i=1,8),&
+        len2,izaid,nes,ntr,nr,ntrp,ntype,ndnf,is,iz,ia,(nxsd(i),i=1,5),&
         esz,nu,mtr,lqr,tyr,lsig,sig,land,and,ldlw,dlw,&
         gpd,mtrp,lsigp,sigp,landp,andp,ldlwp,dlwp,yp,fis,end,&
         iurpt,nud,dndat,ldnd,dnd,(jxsd(i),i=1,2),ptype,ntro,ploct
@@ -14004,13 +14022,13 @@ subroutine acefix(nin,itype,nout,ndir,iprint,nplot,suff,&
    else if (itype.eq.2) then
       if (mcnpx.eq.0) then
         read(nin) hz(1:10),aw0,tz,hd,hko,hm,(izo(i),awo(i),i=1,16),&
-          len2,izaid,nes,ntr,nr,ntrp,ntype,ndnf,(nxsd(i),i=1,8),&
+          len2,izaid,nes,ntr,nr,ntrp,ntype,ndnf,is,iz,ia,(nxsd(i),i=1,5),&
           esz,nu,mtr,lqr,tyr,lsig,sig,land,and,ldlw,dlw,&
           gpd,mtrp,lsigp,sigp,landp,andp,ldlwp,dlwp,yp,fis,end,&
           iurpt,nud,dndat,ldnd,dnd,(jxsd(i),i=1,2),ptype,ntro,ploct
       else
         read(nin) hz(1:13),aw0,tz,hd,hko,hm,(izo(i),awo(i),i=1,16),&
-          len2,izaid,nes,ntr,nr,ntrp,ntype,ndnf,(nxsd(i),i=1,8),&
+          len2,izaid,nes,ntr,nr,ntrp,ntype,ndnf,is,iz,ia,(nxsd(i),i=1,5),&
           esz,nu,mtr,lqr,tyr,lsig,sig,land,and,ldlw,dlw,&
           gpd,mtrp,lsigp,sigp,landp,andp,ldlwp,dlwp,yp,fis,end,&
           iurpt,nud,dndat,ldnd,dnd,(jxsd(i),i=1,2),ptype,ntro,ploct