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HEATR issue correction related to the recoil energy calculation #370

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f0c1507
1. Revisited heatr according to Shengli Chen's papers (NJOY2016.78 wa…
dlopezaldama Jul 15, 2025
8499fd3
Update reference files for tests 01, 07, 08, 13, 19 and 79
dlopezaldama Jul 17, 2025
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24 changes: 16 additions & 8 deletions src/heatr.f90
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Original file line number Diff line number Diff line change
Expand Up @@ -1743,6 +1743,7 @@ subroutine capdam(ee,dame,q,za,awr,mtd)
! Compute damage energy for capture reactions.
!-------------------------------------------------------------------
use endf ! provides iverf,terp1
use mainio ! provides nsyso,nsyse
! externals
integer::mtd
real(kr)::ee,dame,q,za,awr
Expand Down Expand Up @@ -1810,7 +1811,12 @@ subroutine capdam(ee,dame,q,za,awr,mtd)
ea=q+awr*e*aw1fac
if (ea.ge.zero) then
et=(awr+1-ax)*e*aw1fac
if (ea.gt.ec*(1+eps)) ea=ec
if (ea.gt.ec*(1+eps)) then
! Just a message on the system console, but ea is not changed
write(nsyse,'(/,a,1p,e11.4,a,i3,/,27x,a,e12.5,a,e12.5,a)') &
& ' ---message from capdam--- Ea > Vc at E=',e,' for mt=',mtd, &
'(',ea,' > ',ec,')'
endif
do iq=1,nq
er=(et-2*sqrt(et*ax*ea)*qp(iq)+ax*ea)*aw1fac
dame=dame+qw(iq)*df(er,z-zx,awr+1-ax,z,awr)/2
Expand Down Expand Up @@ -3024,7 +3030,7 @@ subroutine sixbar(e,ebar,yld,dame,nin,c,ncmax,nscr,b,nbmax,&
endif

!--compute high values of ebar and dame
if (mth.ne.102.or.(zap.eq.0.and.irec.eq.0)) then
if (mth.ne.102.or.(zap.eq.0.and.irec.eq.0)) then
call getsix(ehi,fhi,dhi,c(iraw),law,lang,lep,irec)
else
ztt=int(zat/1000)
Expand Down Expand Up @@ -3084,7 +3090,7 @@ subroutine getsix(e,ebar,dame,c,law,lang,lep,irec)
! internals
integer::nl,l,i,nd,na,nep,ncyc,iq,ia,nld,il,nmu,imu
integer::nr,np,next,ibase,iint
real(kr)::zp,zt,ap,at,summ,epnext,el,fl,dy,da,xm
real(kr)::zp,zt,ap,at,summ,epnext,el,fl,dy,da,xm,xxe
real(kr)::epn,ym,test,en,f,f1,h,d,xl,yl,xx,yy
real(kr)::x2,zpp,ztt,b,er,t1,t2,thresh,beta
real(kr)::afact,arec,u,e2,ul,fn,dl,hl,f2
Expand Down Expand Up @@ -3381,7 +3387,7 @@ subroutine getsix(e,ebar,dame,c,law,lang,lep,irec)
!--law 7.
!--trapazoidal integration over energy for each angle
!--then trapazoidal integration over angle
510 continue
510 continue
ebar=0
dame=0
dl=0
Expand All @@ -3401,18 +3407,20 @@ subroutine getsix(e,ebar,dame,c,law,lang,lep,irec)
do i=1,np
xx=c(ibase+2*i-1)
yy=c(ibase+2*i)
en=yy*xx
if (irec.gt.0) then
xx=(e-2*sqrt(e*awp*xx)*u+awp*xx)/(awrt+1-awp)
if (irec.gt.0) then ! recoil energy
xxe=(e-2*sqrt(e*awp*xx)*u+awp*xx)/(awrt+1-awp)
else
xxe=xx
endif
en=yy*xxe
if (i.gt.1) then
if (iint.eq.1) then
h=h+(xx-xl)*el
else
h=h+(xx-xl)*(en+el)/2
endif
endif
f=yy*df(xx,zp,ap,zt,at)
f=yy*df(xxe,zp,ap,zt,at)
if (i.gt.1) then
if (iint.eq.1) then
d=d+(xx-xl)*fl
Expand Down
32,161 changes: 16,081 additions & 16,080 deletions tests/01/referenceOutput
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Large diffs are not rendered by default.

136 changes: 68 additions & 68 deletions tests/01/referenceTape25
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Original file line number Diff line number Diff line change
Expand Up @@ -3242,74 +3242,74 @@ see original endf/b-v tape for details of evaluation 1306 1451 6
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2.000000+7 4.714932+4 1306 3444 310
1306 3 099999
1306 0 0 0
6.000000+3 1.189690+1 0 1 1 01306 6221 1
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