Merge pull request #304 from njoy/303-acer/dosfix

acer standalone iopt=7 fix

ReleaseNotes.md

@@ -4,6 +4,7 @@ Given here are some release notes for NJOY2016. Each release is made through a f
 ## [NJOY2016.72](https://github.com/njoy/NJOY2016/pull/xxx)
 This update fixes the following issues:
   - Fixed an issue in GROUPR related to an error coming up in production matrix calculations. Depending on when a user asks for a production matrix associated to a reaction, it is possible that the reference frame of the previous reaction is used instead (caused by erronously defining an already declared global variable as local with a "save" attribute). In some circumstances, this causes NJOY2016 to error out (with a message related to unsupported reference frames). No test results had to be updated due to this change.
+  - Fixed issues in acer to properly print already existing dosimetry and photoatomic ace files when running a stand-alone acer iopt=7 job.
 
 ## [NJOY2016.71](https://github.com/njoy/NJOY2016/pull/301)
 This update adds the new MF7 MT451 (thermal scattering general information) ENDF format to MODER so that this module will be able to interpret the new MF7 section. No other capability in NJOY2016 currently uses the information in this section.

src/acecm.f90

@@ -146,7 +146,15 @@ subroutine mtname(mt,name,izai)
      '(n,xhe3)  ','(n,xa)    '/)
    character(10)::hndf10(1)='damage    '
 
-   if (iverf.ge.6) then
+   !-- default name value is blank unless reset below.
+   name=''
+
+   !--when iverf=-1 the endf version used to create this file is
+   !  unknown.  we assume it comes from version 6 but if the file
+   !  originated from version 5 or earlier the name assigned here
+   !  might be incorrect.
+
+   if (iverf.ge.6.or.iverf.eq.-1) then
       if (mt.ge.201.and.mt.le.207) then
          name=hndf9(mt-200)
       else if (mt.eq.444) then

src/acedo.f90

@@ -334,7 +334,7 @@ subroutine dosfix(itype,nin,nout,ndir,iprint,nplot,mcnpx,&
       read(nin,'(8i9)')&
         len2,za,nxs3,ntr,nxsd(1:12),&
         lone,jxs2,mtr,jxs4,jxs5,lsig,sigd,jxsd(1:14),end,jxsd2(1:10)
-      n=(lone+3)/4
+      n=(len2+3)/4
       l=0
       do i=1,n
          read (nin,'(4e20.0)') (xss(l+j),j=1,4)

src/acepa.f90

@@ -804,6 +804,7 @@ subroutine phoprt(hk)
    !-------------------------------------------------------------------
    ! Print ACE photon interaction data from memory.
    !-------------------------------------------------------------------
+   use endf   ! provides iverf
    use mainio ! provides nsyso
    ! externals
    character(70)::hk
@@ -840,6 +841,11 @@ subroutine phoprt(hk)
    iabs=icoh+nes
    ipair=iabs+nes
    ihtng=lhnm-1
+
+   !--if this is a stand-alone acer iopt=7 job then iverf retains
+   !  its default -1 value and the values written as natural logs
+   !  need to be converted back to real numbers prior to printing.
+
    do i=1,nes
       if (mod(i,57).eq.1) write(nsyso,'(''1''/&
         &''     i'',8x,''energy'',4x,''incoherent'',&
@@ -849,18 +855,23 @@ subroutine phoprt(hk)
         &4x,''----------'',4x,''----------'')')
       col(1)=blank
       x=xss(ieg+i)
+      if (iverf.eq.-1.and.x.ne.zero) x=exp(x)
       if (x.ne.zero) write(col(1),'(1p,e14.4)') x
       col(2)=blank
       x=xss(iinc+i)
+      if (iverf.eq.-1.and.x.ne.zero) x=exp(x)
       if (x.ne.zero) write(col(2),'(1p,e14.4)') x
       col(3)=blank
       x=xss(icoh+i)
+      if (iverf.eq.-1.and.x.ne.zero) x=exp(x)
       if (x.ne.zero) write(col(3),'(1p,e14.4)') x
       col(4)=blank
       x=xss(iabs+i)
+      if (iverf.eq.-1.and.x.ne.zero) x=exp(x)
       if (x.ne.zero) write(col(4),'(1p,e14.4)') x
       col(5)=blank
       x=xss(ipair+i)
+      if (iverf.eq.-1.and.x.ne.zero) x=exp(x)
       if (x.ne.zero) write(col(5),'(1p,e14.4)') x
       col(6)=blank
       x=xss(ihtng+i)
@@ -906,6 +917,7 @@ subroutine phoout(itype,nout,ndir,mcnpx,hk,izn,awn)
    !-------------------------------------------------------------------
    ! Write photo-atomic ACE data to output and directory files.
    !-------------------------------------------------------------------
+   use endf  ! provides iverf
    use util  ! provides openz,closz,error
    use acecm ! provides write routines
    ! externals
@@ -941,11 +953,12 @@ subroutine phoout(itype,nout,ndir,mcnpx,hk,izn,awn)
         len2,z,nes,nflo,nxsd(1:12),&
         eszg,jinc,jcoh,jflo,lhnm,jxsd(1:27)
 
-      !--eszg block
+      !--eszg block.
+      !  convert to natural log, if not already done, prior to writing
       l=eszg
       n=5*nes
       do i=1,n
-         if (xss(l).ne.0.) xss(l)=log(xss(l))
+         if (xss(l).ne.0..and.iverf.ne.-1) xss(l)=log(xss(l))
          call typen(l,nout,2)
          l=l+1
       enddo

src/endf.f90

@@ -17,7 +17,7 @@ module endf
 
    !--Public variables
    integer,public::npage=306
-   integer,public::iverf
+   integer,public::iverf=-1
    real(kr),public::c1h,c2h
    integer,public::l1h,l2h,n1h,n2h,math,mfh,mth,nsh,nsp,nsc
    real(kr),public::thr6