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Feature/sza #329

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merged 6 commits into from
Apr 22, 2024
Merged

Feature/sza #329

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9adfc08
Merge pull request #321 from njoy/develop
whaeck Nov 8, 2023
a0a3340
Merge pull request #327 from njoy/develop
whaeck Jan 16, 2024
7596a5b
Addign s, z, a values to nxs array for ce and pn
whaeck Feb 6, 2024
33349c4
Updating version number and release notes
whaeck Feb 7, 2024
0f2bff0
Merge branch 'master' into feature/sza
whaeck Feb 7, 2024
a45a8be
Updating CI to remove deprecation warning
whaeck Feb 7, 2024
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2 changes: 1 addition & 1 deletion .github/workflows/ContinuousIntegration.yml
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Original file line number Diff line number Diff line change
Expand Up @@ -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
Expand Down
5 changes: 5 additions & 0 deletions ReleaseNotes.md
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Original file line number Diff line number Diff line change
@@ -1,6 +1,11 @@
# 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.

## [NJOY2016.75](https://github.com/njoy/NJOY2016/pull/xxx)
This update fixes the following issues:

In addition, this update made 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.

## [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)
Expand Down
46 changes: 27 additions & 19 deletions src/acefc.f90
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Original file line number Diff line number Diff line change
Expand Up @@ -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,&
Expand Down Expand Up @@ -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))
Expand Down Expand Up @@ -4918,7 +4926,7 @@ 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
Expand Down Expand Up @@ -4968,7 +4976,6 @@ subroutine acelod(nin,suff,matd,tempd,newfor,mcnpx,ismooth)
endif
endif
ntrp=ntrpp
izaid=nint(za)
call dater(hdt)
hd=' '//hdt

Expand Down Expand Up @@ -11076,9 +11083,10 @@ 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/&
Expand All @@ -11089,7 +11097,7 @@ 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
Expand Down Expand Up @@ -12938,7 +12946,7 @@ 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
Expand All @@ -12956,14 +12964,14 @@ 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
Expand Down Expand Up @@ -13926,7 +13934,7 @@ 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
Expand Down Expand Up @@ -14004,13 +14012,13 @@ 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
Expand Down
36 changes: 21 additions & 15 deletions src/acepn.f90
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Original file line number Diff line number Diff line change
Expand Up @@ -17,7 +17,7 @@ module acepn
real(kr)::aw0,tz

! parameters for photonuclear nxs block
integer::lxs,za,nes,ntr,ntype,npixs,neixs,nxsd(8),tvn
integer::lxs,za,nes,ntr,ntype,npixs,neixs,ignored,is,iz,ia,nxsd(4),tvn

! parameters for photonuclear jxs block
integer::esz,tot,non,els,thn,mtr,lqr,lsig,sig,ixsa,ixs,jxsd(21)
Expand Down Expand Up @@ -46,7 +46,7 @@ subroutine acephn(nendf,npend,nace,ndir,matd,tempd,iprint,mcnpx,&
integer::mt103,mt104,mt105,mt106,mt107
integer::i,mfd,mtd,l,mttot,idis,nex,nexc,ir,j,idone,nnex,n
integer::nneut,nphot,nprot,ndeut,ntrit,nhe3,nhe4
integer::k,ia,iaa,nk,ik,lly,izai,izap,law,jscr,nrr,npp
integer::k,ib,iaa,nk,ik,lly,izai,izap,law,jscr,nrr,npp
integer::ll,lll,lep,ne,llh,lld,ie,np,ip,mtt,lct,ii
integer::icapt,jj,itype,it,jp,nr,il,llht,iie,lang
integer::iint,nn,kk,m,intt,last,lf,jnt,ja,jb,ipp,irr
Expand Down Expand Up @@ -114,9 +114,11 @@ subroutine acephn(nendf,npend,nace,ndir,matd,tempd,iprint,mcnpx,&
call contio(nin,0,0,scr,nb,nw)
nx=n2h
izai=0
is=0
if (iverf.ge.5) then
i=i+6
call contio(nin,0,0,scr(i),nb,nw)
is=nint(scr(10)) ! endf-5 and endf-6 both store liso
endif
if (iverf.eq.6) then
i=i+6
Expand All @@ -125,6 +127,10 @@ subroutine acephn(nendf,npend,nace,ndir,matd,tempd,iprint,mcnpx,&
if (izai.ne.0) call error('acephn',&
'endf input tape is not a photonuclear tape',' ')
endif
za=nint(scr(1))
ia=mod(za,1000)
iz=(za-ia)/1000
print*,iz,ia,is,za
call hdatio(nin,0,0,scr,nb,nw)
if (iverf.ge.5) nx=n2h
do while (nb.ne.0)
Expand Down Expand Up @@ -205,7 +211,6 @@ subroutine acephn(nendf,npend,nace,ndir,matd,tempd,iprint,mcnpx,&
call findf(matd,3,0,nin)
call contio(nin,0,0,scr,nb,nw)
mttot=mth
za=nint(scr(1))
e=0
call gety1(e,enext,idis,s,nin,scr)
do while (enext.lt.etop)
Expand Down Expand Up @@ -1633,11 +1638,11 @@ subroutine acephn(nendf,npend,nace,ndir,matd,tempd,iprint,mcnpx,&
scr(ll+3)=0
scr(ll+4)=na !P(l) order (zero is allowed)
scr(ll+5)=0
do ia=1,na
do ib=1,na
lll=lld+7+ncyc*(ig-1)
scr(ll+5+ia)=0
scr(ll+5+ib)=0
if (scr(lll).ne.zero) then
scr(ll+5+ia)=scr(lll+ia)/scr(lll) !P(n)/P(0)
scr(ll+5+ib)=scr(lll+ib)/scr(lll) !P(n)/P(0)
endif
enddo

Expand Down Expand Up @@ -1874,8 +1879,8 @@ subroutine phnfix(itype,nin,nout,ndir,iprint,nplot,mcnpx,suff,&
hz(1:13),aw0,tz,hd,hko,hm
endif
read (nin,'(4(i7,f11.0))') (izo(i),awo(i),i=1,16)
read (nin,'(8i9)') lxs,za,nes,ntr,ntype,npixs,neixs,nxsd(1:8),tvn,&
esz,tot,non,els,thn,mtr,lqr,lsig,sig,ixsa,ixs,jxsd(1:21)
read (nin,'(8i9)') lxs,za,nes,ntr,ntype,npixs,neixs,ignored,is,iz,ia,&
nxsd(1:4),tvn,esz,tot,non,els,thn,mtr,lqr,lsig,sig,ixsa,ixs,jxsd(1:21)
n=(lxs+3)/4
l=0
do i=1,n
Expand All @@ -1887,11 +1892,11 @@ subroutine phnfix(itype,nin,nout,ndir,iprint,nplot,mcnpx,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),&
lxs,za,nes,ntr,ntype,npixs,neixs,nxsd(1:8),tvn,&
lxs,za,nes,ntr,ntype,npixs,neixs,ignored,is,iz,ia,nxsd(1:4),tvn,&
esz,tot,non,els,thn,mtr,lqr,lsig,sig,ixsa,ixs,jxsd(1:21)
else
read(nin) hz(1:13),aw0,tz,hd,hko,hm,(izo(i),awo(i),i=1,16),&
lxs,za,nes,ntr,ntype,npixs,neixs,nxsd(1:8),tvn,&
lxs,za,nes,ntr,ntype,npixs,neixs,ignored,is,iz,ia,nxsd(1:4),tvn,&
esz,tot,non,els,thn,mtr,lqr,lsig,sig,ixsa,ixs,jxsd(1:21)
endif
n=(lxs+ner-1)/ner
Expand Down Expand Up @@ -1980,10 +1985,11 @@ subroutine phnprt(hk)
&6x,''* njoy *'',8x,''ntype'',i10/&
&6x,''* *'',8x,''npixs'',i10/&
&6x,''***********************'',8x,''neixs'',i10/&
&41x,''z'',i10/41x,''a'',i10/41x,''s'',i10/&
&39x,''tvn'',i10/39x,''esz'',i10/39x,''mtr'',i10/&
&39x,''lqr'',i10/38x,''lsig'',i10/39x,''sig'',i10/&
&//6x,''hk--- '',a70///)')&
hz,aw0,tz,hd,hm,lxs,za,nes,ntr,ntype,npixs,neixs,tvn,&
hz,aw0,tz,hd,hm,lxs,za,nes,ntr,ntype,npixs,neixs,iz,ia,is,tvn,&
esz,mtr,lqr,lsig,sig,hk

!--photonuclear reaction descriptions
Expand Down Expand Up @@ -2481,8 +2487,8 @@ subroutine phnout(itype,nout,ndir,mcnpx,hk,izn,awn)
hz,aw0,tz,hd,hk,hm
endif
write(nout,'(4(i7,f11.0))') (izn(i),awn(i),i=1,16)
write(nout,'(8i9)')lxs,za,nes,ntr,ntype,npixs,neixs,nxsd(1:8),tvn,&
esz,tot,non,els,thn,mtr,lqr,lsig,sig,ixsa,ixs,jxsd(1:21)
write(nout,'(8i9)')lxs,za,nes,ntr,ntype,npixs,neixs,ignored,is,iz,ia,&
nxsd(1:4),tvn,esz,tot,non,els,thn,mtr,lqr,lsig,sig,ixsa,ixs,jxsd(1:21)

!--esz block
l=1
Expand Down Expand Up @@ -2775,11 +2781,11 @@ subroutine phnout(itype,nout,ndir,mcnpx,hk,izn,awn)
else
if (mcnpx.eq.0) then
write(nout) hz(1:10),aw0,tz,hd,hk,hm,(izn(i),awn(i),i=1,16),&
lxs,za,nes,ntr,ntype,npixs,neixs,nxsd(1:8),tvn,&
lxs,za,nes,ntr,ntype,npixs,neixs,ignored,is,iz,ia,nxsd(1:4),tvn,&
esz,tot,non,els,thn,mtr,lqr,lsig,sig,ixsa,ixs,jxsd(1:21)
else
write(nout) hz(1:13),aw0,tz,hd,hk,hm,(izn(i),awn(i),i=1,16),&
lxs,za,nes,ntr,ntype,npixs,neixs,nxsd(1:8),tvn,&
lxs,za,nes,ntr,ntype,npixs,neixs,ignored,is,iz,ia,nxsd(1:4),tvn,&
esz,tot,non,els,thn,mtr,lqr,lsig,sig,ixsa,ixs,jxsd(1:21)
endif
ll=0
Expand Down
4 changes: 2 additions & 2 deletions src/vers.f90
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Expand Up @@ -3,6 +3,6 @@ module version
! These values are updated during the NJOY revision-control process.
implicit none
private
character(8),public::vers='2016.74'
character(8),public::vday='12Jan24'
character(8),public::vers='2016.75'
character(8),public::vday='xxMar24'
end module version
2 changes: 1 addition & 1 deletion tests/07/referenceTape26
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Expand Up @@ -5,7 +5,7 @@ njoy test problem 7 mat1395
0 0. 0 0. 0 0. 0 0.
0 0. 0 0. 0 0. 0 0.
56381 92235 5041 24 22 33 0 6
0 0 0 0 0 0 0 0
0 92 235 0 0 0 0 0
1 25206 25253 25277 25301 25325 25349 43014
43037 45207 45229 47124 52765 52798 52831 54305
54338 54338 54371 56378 0 56381 0 45937
Expand Down
2 changes: 1 addition & 1 deletion tests/08/referenceTape25
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Expand Up @@ -5,7 +5,7 @@
0 0. 0 0. 0 0. 0 0.
0 0. 0 0. 0 0. 0 0.
89227 28061 4447 16 11 36 0 0
0 0 0 0 0 0 0 0
0 28 61 0 0 0 0 0
1 0 22236 22252 22268 22284 22300 51893
51905 54848 54859 61682 66129 66165 66201 66711
66747 66747 66783 89213 0 89227 0 0
Expand Down
2 changes: 1 addition & 1 deletion tests/10/referenceTape26
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Expand Up @@ -5,7 +5,7 @@ njoy test problem 10 mat1050
0 0. 0 0. 0 0. 0 0.
0 0. 0 0. 0 0. 0 0.
38713 94238 2925 14 13 0 0 0
0 0 0 0 0 0 0 0
0 94 238 0 0 0 0 0
1 14626 14630 14644 14658 14672 14686 22791
22805 35715 35728 0 0 0 0 0
0 0 0 0 14856 38713 35925 0
Expand Down
2 changes: 1 addition & 1 deletion tests/13/referenceTape26
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Expand Up @@ -5,7 +5,7 @@
0 0. 0 0. 0 0. 0 0.
0 0. 0 0. 0 0. 0 0.
130716 28061 4447 18 11 36 2 0
0 0 0 0 0 0 0 0
0 28 61 0 0 0 0 0
1 0 22236 22254 22272 22290 22308 57000
57012 72818 72829 88405 92852 92888 92924 93434
93470 93470 93506 115936 0 115950 0 0
Expand Down
2 changes: 1 addition & 1 deletion tests/14/referenceTape31
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Expand Up @@ -5,7 +5,7 @@ proton + 7-n-14 apt la150 njoy mcnpx mat 725
0 0. 0 0. 0 0. 0 0.
0 0. 0 0. 0 0. 0 0.
71369 7014 172 1 1 1 3 0
0 0 0 0 0 0 0 0
0 7 14 0 0 0 0 0
1 0 861 862 863 864 865 1032
1034 10592 10593 24401 24573 24574 24575 24665
24666 24666 24667 35686 0 35687 0 0
Expand Down
2 changes: 1 addition & 1 deletion tests/19/referenceTape27
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Expand Up @@ -5,7 +5,7 @@ njoy test problem 19 mat9443
0 0. 0 0. 0 0. 0 0.
0 0. 0 0. 0 0. 0 0.
67740 94241 4356 20 19 3 0 6
0 0 0 0 0 0 0 0
0 94 241 0 0 0 0 0
1 21781 21808 21828 21848 21868 21888 32136
32156 39498 39517 59150 63506 63509 63512 63644
63647 63647 63650 67738 21954 67740 43747 48351
Expand Down
2 changes: 1 addition & 1 deletion tests/24/referenceTape34
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Expand Up @@ -5,7 +5,7 @@ acer check/plot tape for material 9437 mat9437
0 0. 0 0. 0 0. 0 0.
0 0. 0 0. 0 0. 0 0.
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2 changes: 1 addition & 1 deletion tests/28/referenceTape34
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Expand Up @@ -5,7 +5,7 @@ acer check/plot tape for material 9443 mat9443
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2 changes: 1 addition & 1 deletion tests/28/referenceTape44
View file
Open in desktop
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Expand Up @@ -5,7 +5,7 @@ acer check/plot tape for material 9443 mat9443
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2 changes: 1 addition & 1 deletion tests/28/referenceTape54
View file
Open in desktop
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