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gfnff_shake_fix#1402

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Ehsanam1773 wants to merge 3 commits into
grimme-lab:mainfrom
Ehsanam1773:gfnff_shake_fix
Open

gfnff_shake_fix#1402
Ehsanam1773 wants to merge 3 commits into
grimme-lab:mainfrom
Ehsanam1773:gfnff_shake_fix

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@Ehsanam1773
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Comment on lines +78 to +83
if(at(jmin).eq.1) then
if(jmin.gt.i) then
nconsu = nconsu + 1
conslistu(1,nconsu) = i
conslistu(2,nconsu) = jmin
endif
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What is this formatting? Use autoformatters, please.

enddo
endif
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
99 ncons = nconsu
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What is this 99?


!100 continue
do while (.not.conv.and.icyc.le.maxcyc) !goto 100
100 continue
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Write a do-cycle here

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2 participants