Merge pull request #172 from njoy/fix/cpt

Fix/cpt

ReleaseNotes.md

@@ -1,6 +1,19 @@
 # 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.
 
+## [NJOY2016.60](https://github.com/njoy/NJOY2016/pull/172)
+When processing new incident charged particle ENDF files, NaN values were discovered in the ACE files. This appeared to be due to an array index overflow. A parameter for the size was added so that we can more easily resize the array, and an error message was added to detect similar issues in the future.
+
+## [NJOY2016.59](https://github.com/njoy/NJOY2016/pull/170)
+This release fixes a minor issue in ACER. Whenever an `ACER` check run changed the library suffix for thermal scattering libraries, it was ignored. Test 61 was added to the non regression tests.
+
+This release addresses issue [\#163](https://github.com/njoy/NJOY2016/issues/163).
+
+## [NJOY2016.58](https://github.com/njoy/NJOY2016/pull/169)
+This release fixes a processing issue for the IRDFF-II ENDF files in GROUPR.
+
+This release addresses issue [\#124](https://github.com/njoy/NJOY2016/issues/124).
+
 ## [NJOY2016.57](https://github.com/njoy/NJOY2016/pull/160)
 This release adds a number of new predefined group structures to GROUPR and ERRORR. The code used to generate these group structures is now shared between both modules.
 

docs/testDescription.md

@@ -266,9 +266,25 @@ title: NJOY2016 Test Descriptions
 [[input](https://raw.githubusercontent.com/njoy/NJOY2016/master/tests/53/input)]
 [[input](https://raw.githubusercontent.com/njoy/NJOY2016/master/tests/54/input)]
 
-  These tests were added following issue [\#138](https://github.com/njoy/NJOY2016/issues/91) in which a charged particle ACE file is produced with NaN values due to an error in the Coulomb elastic scattering cross section for identical particles. These 5 tests cover most of the different possibilities we may encounter:
+  These tests were added following issue [\#138](https://github.com/njoy/NJOY2016/issues/138) in which a charged particle ACE file is produced with NaN values due to an error in the Coulomb elastic scattering cross section for identical particles. These 5 tests cover most of the different possibilities we may encounter:
 - test 50: LAW=5 LTP=12 for identical particles with a spin s = 0 (this file produces NaN values)
 - test 51: LAW=5 LTP=12 for different particles (as expected, this remains the same before and after the fix)
 - 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)
+
+## Test Problem 55-59
+
+Currently assigned in unmerged fixes
+
+## Test Problem 60
+
+This test was added to following issue [\#124](https://github.com/njoy/NJOY2016/issues/124) following processing issues using IRDFF-II ENDF files.
+
+## Test Problem 61
+
+This test was added to following issue [\#163](https://github.com/njoy/NJOY2016/issues/163). Whenever an `ACER` check run changed the library suffix, it was ignored. This has been fixed now and this test was added to validate the fix.
+
+## Test Problem 62
+
+This test was added to following issue [\#173](https://github.com/njoy/NJOY2016/issues/173). For a new d+He3 evaluation, the ACE file produced by NJOY2016 still has a few NaN values appearing in it. This problem was due to an array index overflow in acecpe.

src/acefc.f90

@@ -6412,10 +6412,14 @@ subroutine acecpe(next,scr,nin,awr,awp,spi,ne,lidp,ie,il,nes)
    real(kr)::amass,e,f,xelas,cumm,amul,smul,sigcl,ratr,ratrl
    real(kr)::eht,amuu,pmu,ai,at,zt,zi,cc1,ee,cc2,wn,eta
    real(kr)::sigc,signi,signow,h,en
-   real(kr)::xxs(200),yys(200)
+   real(kr),allocatable,dimension(:)::xxs,yys
    real(kr),parameter::emev=1.e6_kr
    real(kr),parameter::fm=1.e-12_kr
 
+   !--allocate scratch storage area
+   allocate(xxs(ne))
+   allocate(yys(ne))
+
    write(nsyso,'(/'' working on charged-particle elastic'')')
    amass=awr/awp
    llht=1
@@ -6567,6 +6571,8 @@ subroutine acecpe(next,scr,nin,awr,awp,spi,ne,lidp,ie,il,nes)
         xss(esz+nes+j),xss(esz+3*nes+j),h
       xss(esz+4*nes+j)=sigfig(h,7,0)
    enddo
+   deallocate(xxs)
+   deallocate(yys)
    return
    end subroutine acecpe
 
@@ -6587,7 +6593,7 @@ subroutine acelf5(next,i,matd,mt,q,nin,ismooth)
    real(kr)::dy,test,xm,ym,yt,dele,ta11
    character(60)::strng
    integer,parameter::ismax=20
-   integer,parameter::jsmax=200
+   integer,parameter::jsmax=500
    real(kr)::xs(ismax),ys(ismax),xxs(jsmax),yys(jsmax)
    real(kr),dimension(:),allocatable::scr
    integer,parameter::nwscr=5000
@@ -7893,7 +7899,7 @@ subroutine ptlegc(c,awp,izai,awt,iza,spi)
          ! use top point in stack.
          ii=ii+1
          if (ii.gt.maxang) call error('ptlegc',&
-           'too many coulomb angles',' ')
+           'too many coulomb angles, increase maxang',' ')
          aco(ii)=x(i)
          cprob(ii)=y(i)
          i=i-1

src/vers.f90

@@ -3,6 +3,6 @@ module version
    ! These values are updated during the NJOY revision-control process.
    implicit none
    private
-   character(8),public::vers='2016.59'
-   character(8),public::vday='27Jul20'
+   character(8),public::vers='2016.60'
+   character(8),public::vday='05Aug20'
 end module version

tests/62/CMakeLists.txt

@@ -0,0 +1,16 @@
+configure_file("${CMAKE_CURRENT_SOURCE_DIR}/input"
+               "${CMAKE_CURRENT_BINARY_DIR}/input" COPYONLY )
+
+configure_file("${CMAKE_CURRENT_SOURCE_DIR}/referenceTape33"
+               "${CMAKE_CURRENT_BINARY_DIR}/referenceTape33" COPYONLY )
+configure_file("${CMAKE_CURRENT_SOURCE_DIR}/referenceTape34"
+               "${CMAKE_CURRENT_BINARY_DIR}/referenceTape34" COPYONLY )
+configure_file("${CMAKE_CURRENT_SOURCE_DIR}/referenceTape35"
+               "${CMAKE_CURRENT_BINARY_DIR}/referenceTape35" COPYONLY )
+
+configure_file("${RESOURCES}/d-002_He_003.endf"
+               "${CMAKE_CURRENT_BINARY_DIR}/tape20" COPYONLY )
+
+add_test( NAME "Test62"
+          COMMAND ${PYTHON_EXECUTABLE} "../execute.py"
+          WORKING_DIRECTORY "${CMAKE_CURRENT_BINARY_DIR}" )

tests/62/input

@@ -0,0 +1,18 @@
+moder
+ 20 -21
+moder
+ -21 -22
+acer
+ -21 -22 0 31 32
+ 1 1 1 .10 /
+ 'ENDF/B-VIII.0 deuteron + He3' /
+ 225 0.0 /
+ /
+ /
+acer
+ 0 31 33 34 35
+ 7 1 1 -1 /
+ 'ENDF/B-VIII.0 deuteron + He3' /
+viewr
+ 33 43
+stop