Merge pull request #141 from njoy/fix/acer-iza

Added nza again

ReleaseNotes.md

@@ -1,6 +1,9 @@
 # Release Notes—NJOY2016
 Given here are some release notes for NJOY2016. Each release is made through a formal [Pull Request](https://github.com/njoy/NJOY2016/pulls) made on GitHub. There are links in this document that point to each of those Pull Requests, where you can see in great details the changes that were made. Often the Pull Requests are made in response to an [issue](https://github.com/njoy/NJOY2016/issues). In such cases, links to those issues are also given.
 
+## [NJOY2016.53](https://github.com/njoy/NJOY2016/pull/141)
+In an initial proposal for NJOY2016.51, the number of za values to be read (the nza variable) was explicitly requested in the input. This was removed in favor of reading 16 values by default and then determining how many were given. This proves problematic for NJOY21. As a result, specifying nza is now mandatory again.
+
 ## [NJOY2016.52](https://github.com/njoy/NJOY2016/pull/139)
 An error was corrected in the calculation of the Coulomb elastic scattering cross section for incident charged particles. The issue was detected when producing an ACE file for alpha on alpha with ACER but the error also existed in GROUPR. All instances have been corrected. Tests were added for 5 cases to detect this issue in the future.
 

docs/testDescription.md

@@ -78,7 +78,7 @@ title: NJOY2016 Test Descriptions
 
 [[input](https://raw.githubusercontent.com/njoy/NJOY2016/master/tests/13/input)]
 
-  This case demonstrates the modern MCNP formats using <sup>61</sup>Ni from ENDF/B-VI.  Note that `ACER` is run twice, once to prepare the ACE file, and again to do consistency checking and to prepare detailed [plots](https://raw.githubusercontent.com/njoy/NJOY2016/master/docs/tests/13/referenceTape36.pdf). 
+  This case demonstrates the modern MCNP formats using <sup>61</sup>Ni from ENDF/B-VI.  Note that `ACER` is run twice, once to prepare the ACE file, and again to do consistency checking and to prepare detailed [plots](https://raw.githubusercontent.com/njoy/NJOY2016/master/docs/tests/13/referenceTape36.pdf).
 
 ## Test Problem 14
 
@@ -125,7 +125,7 @@ title: NJOY2016 Test Descriptions
 ## Test Problem 21
 
 [[input](https://raw.githubusercontent.com/njoy/NJOY2016/master/tests/21/input)]
- 
+
   This test case was developed to check if NaNs were "calculated" in `PURR`. This problem was discovered by Dave Brown and Paul Romano and was fixed in [Pull Request 18](https://github.com/njoy/NJOY2016/pull/18). This test was created in an attempt to prevent this from happening again. (No guarantees.)
 
 ## Test Problem 22
@@ -232,7 +232,7 @@ title: NJOY2016 Test Descriptions
 
 [[input](https://raw.githubusercontent.com/njoy/NJOY2016/master/tests/45/input)]
 
-  This test was added following an issue identified in `GASPR` concerning the charged particle production cros ssections when the original ENDF tape does not contain the summation cross section when individual levels are present. This lead to double counting of these levels. This test was added to detect this problem in the future.
+  This test was added following an issue identified in `GASPR` concerning the charged particle production cross sections when the original ENDF tape does not contain the summation cross section when individual levels are present. This lead to double counting of these levels. This test was added to detect this problem in the future.
 
 ## Test Problem 46
 
@@ -272,4 +272,3 @@ title: NJOY2016 Test Descriptions
 - test 52: LAW=5 LTP=1 for identical particles with a spin s = 0.5 (as expected, this remains the same before and after the fix)
 - test 53: LAW=5 LTP=1 for identical particles with a spin s = 1 (this changes due to the fix but the original file does no have NaN values, as expected)
 - test 54: LAW=5 LTP=1 for different particles (as expected, this remains the same before and after the fix)
-

src/acer.f90

@@ -144,7 +144,7 @@ subroutine acer
    !    matd     material to be processed
    !    tempd    temperature desired (kelvin) (default=300)
    ! card 6
-   !    newfor   use new cummulative angle distributions,
+   !    newfor   use new cumulative angle distributions,
    !               law 61, and outgoing particle distributions.
    !               (0=no, 1=yes, default=1)
    !    iopp     detailed photons (0=no, 1=yes, default=1)
@@ -174,6 +174,7 @@ subroutine acer
    !    matd     material to be processed
    !    tempd    temperature desired (kelvin) (default=300)
    !    tname    thermal zaid name ( 6 char max, def=za)
+   !    nza      number of moderator component za values (default=3, max=16)
    ! card 8a
    !    iza      moderator component za values (up to a maximum of 16 values,
    !             must be terminated by /)
@@ -358,14 +359,22 @@ subroutine acer
    else if (iopt.eq.2) then
       tempd=300
       tscr=' '
-      nza=16
-      read(nsysi,*) matd,tempd,tscr
+      nza=3
+      read(nsysi,*) matd,tempd,tscr,nza
       nch=0
       do i=1,6
          if (tscr(i:i).ne.' ') nch=i
       enddo
       tname='      '
       if (nch.gt.0) tname(7-nch:6)=tscr(1:nch)
+      write(nsyso,'(&
+        &'' mat to be processed .................. '',i10/&
+        &'' temperature .......................... '',1p,e10.3/&
+        &'' thermal name ......................... '',4x,a6)')&
+        matd,tempd,tname
+      if (nza.lt.1.or.nza.gt.16) then
+         call error('acer','between 1 and 16 za value must be given.',' ')
+      endif
       do i=1,nza
          izn(i)=0
       enddo
@@ -377,17 +386,9 @@ subroutine acer
          endif
       enddo
       write(nsyso,'(&
-        &'' mat to be processed .................. '',i10/&
-        &'' temperature .......................... '',1p,e10.3/&
-        &'' thermal name ......................... '',4x,a6/&
-        &'' number moderator component za values . '',i10)')&
-        matd,tempd,tname,nza
-      write(nsyso,'(&
+        &'' number moderator component za values . '',i10/&
         &'' iza   ................................ '',i10/&
-        &(40x,i10))') (izn(i),i=1,nza)
-      if (nza.eq.zero) then
-         call error('acer','at least one za value must be given.',' ')
-      endif
+        &(40x,i10))') nza,(izn(i),i=1,nza)
       do i=1,nza
          if (izn(i).le.zero) then
             call error('acer','found invalid za numbers in izn.',' ')

src/vers.f90

@@ -3,7 +3,6 @@ module version
    ! These values are updated during the NJOY revision-control process.
    implicit none
    private
-   character(8),public::vers='2016.52'
-   character(8),public::vday='02Nov19'
+   character(8),public::vers='2016.53'
+   character(8),public::vday='07Nov19'
 end module version
-

tests/49/input

@@ -27,7 +27,7 @@ acer
    -31 -25 0 71 61
     2 0 1 .80/
     'Zr in ZrH at 296k ' /
-    4025 296 'zrzrh' /
+    4025 296 'zrzrh' 6 /
     40090 40091 40092 40094 40096 /
     227 80 228 0 1 1.00022 2/
 stop