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merged 3 commits into from
May 2, 2022
Merged

Enabling four party reactions #193

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2947bb3
enabling four party reaction
hwpang Feb 18, 2021
10a62c2
enable 4 party reaction for edge analysis
hwpang Mar 17, 2022
a51c178
Enable addreactionratecontributionsforwardreverse for four party reac…
hwpang Apr 29, 2022
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208 changes: 142 additions & 66 deletions src/Domain.jl
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Original file line number Diff line number Diff line change
Expand Up @@ -2652,32 +2652,40 @@ export jacobiany!
@fastmath @inbounds fderiv = kfs[rxnind]*cs[rxnarray[1,rxnind]]
elseif @inbounds rxnarray[3,rxnind] == 0
@fastmath @inbounds fderiv = kfs[rxnind]*cs[rxnarray[1,rxnind]]*cs[rxnarray[2,rxnind]]
else
elseif @inbounds rxnarray[4,rxnind] == 0
@fastmath @inbounds fderiv = kfs[rxnind]*cs[rxnarray[1,rxnind]]*cs[rxnarray[2,rxnind]]*cs[rxnarray[3,rxnind]]
else
@fastmath @inbounds fderiv = kfs[rxnind]*cs[rxnarray[1,rxnind]]*cs[rxnarray[2,rxnind]]*cs[rxnarray[3,rxnind]]*cs[rxnarray[4,rxnind]]
end

if @inbounds rxnarray[5,rxnind] == 0
@fastmath @inbounds rderiv = krevs[rxnind]*cs[rxnarray[4,rxnind]]
elseif @inbounds rxnarray[6,rxnind] == 0
@fastmath @inbounds rderiv = krevs[rxnind]*cs[rxnarray[4,rxnind]]*cs[rxnarray[5,rxnind]]
if @inbounds rxnarray[6,rxnind] == 0
@fastmath @inbounds rderiv = krevs[rxnind]*cs[rxnarray[5,rxnind]]
elseif @inbounds rxnarray[7,rxnind] == 0
@fastmath @inbounds rderiv = krevs[rxnind]*cs[rxnarray[5,rxnind]]*cs[rxnarray[6,rxnind]]
elseif @inbounds rxnarray[8,rxnind] == 0
@fastmath @inbounds rderiv = krevs[rxnind]*cs[rxnarray[5,rxnind]]*cs[rxnarray[6,rxnind]]*cs[rxnarray[7,rxnind]]
else
@fastmath @inbounds rderiv = krevs[rxnind]*cs[rxnarray[4,rxnind]]*cs[rxnarray[5,rxnind]]*cs[rxnarray[6,rxnind]]
@fastmath @inbounds rderiv = krevs[rxnind]*cs[rxnarray[5,rxnind]]*cs[rxnarray[6,rxnind]]*cs[rxnarray[7,rxnind]]*cs[rxnarray[8,rxnind]]
end
else
if @inbounds rxnarray[2,rxnind] == 0
@inbounds fderiv = cs[rxnarray[1,rxnind]]
elseif @inbounds rxnarray[3,rxnind] == 0
@fastmath @inbounds fderiv = cs[rxnarray[1,rxnind]]*cs[rxnarray[2,rxnind]]
else
elseif @inbounds rxnarray[4,rxnind] == 0
@fastmath @inbounds fderiv = cs[rxnarray[1,rxnind]]*cs[rxnarray[2,rxnind]]*cs[rxnarray[3,rxnind]]
else
@fastmath @inbounds fderiv = cs[rxnarray[1,rxnind]]*cs[rxnarray[2,rxnind]]*cs[rxnarray[3,rxnind]]*cs[rxnarray[4,rxnind]]
end

if @inbounds rxnarray[5,rxnind] == 0
@fastmath @inbounds rderiv = krevs[rxnind]/kfs[rxnind]*cs[rxnarray[4,rxnind]]
elseif @inbounds rxnarray[6,rxnind] == 0
@fastmath @inbounds rderiv = krevs[rxnind]/kfs[rxnind]*cs[rxnarray[4,rxnind]]*cs[rxnarray[5,rxnind]]
if @inbounds rxnarray[6,rxnind] == 0
@fastmath @inbounds rderiv = krevs[rxnind]/kfs[rxnind]*cs[rxnarray[5,rxnind]]
elseif @inbounds rxnarray[7,rxnind] == 0
@fastmath @inbounds rderiv = krevs[rxnind]/kfs[rxnind]*cs[rxnarray[5,rxnind]]*cs[rxnarray[6,rxnind]]
elseif @inbounds rxnarray[8,rxnind] == 0
@fastmath @inbounds rderiv = krevs[rxnind]/kfs[rxnind]*cs[rxnarray[5,rxnind]]*cs[rxnarray[6,rxnind]]*cs[rxnarray[7,rxnind]]
else
@fastmath @inbounds rderiv = krevs[rxnind]/kfs[rxnind]*cs[rxnarray[4,rxnind]]*cs[rxnarray[5,rxnind]]*cs[rxnarray[6,rxnind]]
@fastmath @inbounds rderiv = krevs[rxnind]/kfs[rxnind]*cs[rxnarray[5,rxnind]]*cs[rxnarray[6,rxnind]]*cs[rxnarray[7,rxnind]]*cs[rxnarray[8,rxnind]]
end
end

Expand All @@ -2701,23 +2709,43 @@ export jacobiany!
@inbounds jacp[rxnarray[2,rxnind],rxnarray[3,rxnind]] -= gderiv
@inbounds jacp[rxnarray[3,rxnind],rxnarray[3,rxnind]] -= gderiv
@inbounds _spreadreactantpartials!(jacp,gderiv,rxnarray,rxnind,rxnarray[3,rxnind])
if @inbounds rxnarray[4,rxnind] !== 0
@inbounds jacp[rxnarray[4,rxnind],rxnarray[1,rxnind]] -= gderiv
@inbounds jacp[rxnarray[4,rxnind],rxnarray[2,rxnind]] -= gderiv
@inbounds jacp[rxnarray[4,rxnind],rxnarray[3,rxnind]] -= gderiv
@inbounds jacp[rxnarray[1,rxnind],rxnarray[4,rxnind]] -= gderiv
@inbounds jacp[rxnarray[2,rxnind],rxnarray[4,rxnind]] -= gderiv
@inbounds jacp[rxnarray[3,rxnind],rxnarray[4,rxnind]] -= gderiv
@inbounds jacp[rxnarray[4,rxnind],rxnarray[4,rxnind]] -= gderiv
@inbounds _spreadreactantpartials!(jacp,gderiv,rxnarray,rxnind,rxnarray[4,rxnind])
end
end
end

@inbounds jacp[rxnarray[4,rxnind],rxnarray[4,rxnind]] -= gderiv
@inbounds _spreadproductpartials!(jacp,gderiv,rxnarray,rxnind,rxnarray[4,rxnind])
if @inbounds rxnarray[5,rxnind] !== 0
@inbounds jacp[rxnarray[5,rxnind],rxnarray[4,rxnind]] -= gderiv
@inbounds jacp[rxnarray[4,rxnind],rxnarray[5,rxnind]] -= gderiv
@inbounds jacp[rxnarray[5,rxnind],rxnarray[5,rxnind]] -= gderiv
@inbounds _spreadproductpartials!(jacp,gderiv,rxnarray,rxnind,rxnarray[5,rxnind])
if @inbounds rxnarray[6,rxnind] !== 0
@inbounds jacp[rxnarray[6,rxnind],rxnarray[4,rxnind]] -= gderiv
@inbounds jacp[rxnarray[6,rxnind],rxnarray[5,rxnind]] -= gderiv
@inbounds jacp[rxnarray[4,rxnind],rxnarray[6,rxnind]] -= gderiv
@inbounds jacp[rxnarray[5,rxnind],rxnarray[6,rxnind]] -= gderiv
@inbounds jacp[rxnarray[6,rxnind],rxnarray[6,rxnind]] -= gderiv
@inbounds _spreadproductpartials!(jacp,gderiv,rxnarray,rxnind,rxnarray[6,rxnind])
@inbounds jacp[rxnarray[5,rxnind],rxnarray[5,rxnind]] -= gderiv
@inbounds _spreadproductpartials!(jacp,gderiv,rxnarray,rxnind,rxnarray[5,rxnind])
if @inbounds rxnarray[6,rxnind] !== 0
@inbounds jacp[rxnarray[6,rxnind],rxnarray[5,rxnind]] -= gderiv
@inbounds jacp[rxnarray[5,rxnind],rxnarray[6,rxnind]] -= gderiv
@inbounds jacp[rxnarray[6,rxnind],rxnarray[6,rxnind]] -= gderiv
@inbounds _spreadproductpartials!(jacp,gderiv,rxnarray,rxnind,rxnarray[6,rxnind])
if @inbounds rxnarray[7,rxnind] !== 0
@inbounds jacp[rxnarray[7,rxnind],rxnarray[5,rxnind]] -= gderiv
@inbounds jacp[rxnarray[7,rxnind],rxnarray[6,rxnind]] -= gderiv
@inbounds jacp[rxnarray[5,rxnind],rxnarray[7,rxnind]] -= gderiv
@inbounds jacp[rxnarray[6,rxnind],rxnarray[7,rxnind]] -= gderiv
@inbounds jacp[rxnarray[7,rxnind],rxnarray[7,rxnind]] -= gderiv
@inbounds _spreadproductpartials!(jacp,gderiv,rxnarray,rxnind,rxnarray[7,rxnind])
if @inbounds rxnarray[8,rxnind] !== 0
@inbounds jacp[rxnarray[8,rxnind],rxnarray[5,rxnind]] -= gderiv
@inbounds jacp[rxnarray[8,rxnind],rxnarray[6,rxnind]] -= gderiv
@inbounds jacp[rxnarray[8,rxnind],rxnarray[7,rxnind]] -= gderiv
@inbounds jacp[rxnarray[5,rxnind],rxnarray[8,rxnind]] -= gderiv
@inbounds jacp[rxnarray[6,rxnind],rxnarray[8,rxnind]] -= gderiv
@inbounds jacp[rxnarray[7,rxnind],rxnarray[8,rxnind]] -= gderiv
@inbounds jacp[rxnarray[8,rxnind],rxnarray[8,rxnind]] -= gderiv
@inbounds _spreadproductpartials!(jacp,gderiv,rxnarray,rxnind,rxnarray[8,rxnind])
end
end
end

Expand All @@ -2732,16 +2760,20 @@ end
@fastmath @inbounds fderiv = kfs[rxnind]*cs[rxnarray[1,rxnind]]
elseif @inbounds rxnarray[3,rxnind] == 0
@fastmath @inbounds fderiv = kfs[rxnind]*cs[rxnarray[1,rxnind]]*cs[rxnarray[2,rxnind]]
else
elseif @inbounds rxnarray[4,rxnind] == 0
@fastmath @inbounds fderiv = kfs[rxnind]*cs[rxnarray[1,rxnind]]*cs[rxnarray[2,rxnind]]*cs[rxnarray[3,rxnind]]
else
@fastmath @inbounds fderiv = kfs[rxnind]*cs[rxnarray[1,rxnind]]*cs[rxnarray[2,rxnind]]*cs[rxnarray[3,rxnind]]*cs[rxnarray[4,rxnind]]
end

if @inbounds rxnarray[5,rxnind] == 0
@fastmath @inbounds rderiv = krevs[rxnind]*cs[rxnarray[4,rxnind]]
elseif @inbounds rxnarray[6,rxnind] == 0
@fastmath @inbounds rderiv = krevs[rxnind]*cs[rxnarray[4,rxnind]]*cs[rxnarray[5,rxnind]]
if @inbounds rxnarray[6,rxnind] == 0
@fastmath @inbounds rderiv = krevs[rxnind]*cs[rxnarray[5,rxnind]]
elseif @inbounds rxnarray[7,rxnind] == 0
@fastmath @inbounds rderiv = krevs[rxnind]*cs[rxnarray[5,rxnind]]*cs[rxnarray[6,rxnind]]
elseif @inbounds rxnarray[8,rxnind] == 0
@fastmath @inbounds rderiv = krevs[rxnind]*cs[rxnarray[5,rxnind]]*cs[rxnarray[6,rxnind]]*cs[rxnarray[7,rxnind]]
else
@fastmath @inbounds rderiv = krevs[rxnind]*cs[rxnarray[4,rxnind]]*cs[rxnarray[5,rxnind]]*cs[rxnarray[6,rxnind]]
@fastmath @inbounds rderiv = krevs[rxnind]*cs[rxnarray[5,rxnind]]*cs[rxnarray[6,rxnind]]*cs[rxnarray[7,rxnind]]*cs[rxnarray[8,rxnind]]
end

@fastmath flux = fderiv-rderiv
Expand All @@ -2764,23 +2796,43 @@ end
@inbounds jacp[rxnarray[2,rxnind],rxnarray[3,rxnind]] -= gderiv
@inbounds jacp[rxnarray[3,rxnind],rxnarray[3,rxnind]] -= gderiv
@inbounds _spreadreactantpartials!(jacp,gderiv,rxnarray,rxnind,rxnarray[3,rxnind])
if @inbounds rxnarray[4,rxnind] !== 0
@inbounds jacp[rxnarray[4,rxnind],rxnarray[1,rxnind]] -= gderiv
@inbounds jacp[rxnarray[4,rxnind],rxnarray[2,rxnind]] -= gderiv
@inbounds jacp[rxnarray[4,rxnind],rxnarray[3,rxnind]] -= gderiv
@inbounds jacp[rxnarray[1,rxnind],rxnarray[4,rxnind]] -= gderiv
@inbounds jacp[rxnarray[2,rxnind],rxnarray[4,rxnind]] -= gderiv
@inbounds jacp[rxnarray[3,rxnind],rxnarray[4,rxnind]] -= gderiv
@inbounds jacp[rxnarray[4,rxnind],rxnarray[4,rxnind]] -= gderiv
@inbounds _spreadreactantpartials!(jacp,gderiv,rxnarray,rxnind,rxnarray[4,rxnind])
end
end
end

@inbounds jacp[rxnarray[4,rxnind],rxnarray[4,rxnind]] -= gderiv
@inbounds _spreadproductpartials!(jacp,gderiv,rxnarray,rxnind,rxnarray[4,rxnind])
if @inbounds rxnarray[5,rxnind] !== 0
@inbounds jacp[rxnarray[5,rxnind],rxnarray[4,rxnind]] -= gderiv
@inbounds jacp[rxnarray[4,rxnind],rxnarray[5,rxnind]] -= gderiv
@inbounds jacp[rxnarray[5,rxnind],rxnarray[5,rxnind]] -= gderiv
@inbounds _spreadproductpartials!(jacp,gderiv,rxnarray,rxnind,rxnarray[5,rxnind])
if @inbounds rxnarray[6,rxnind] !== 0
@inbounds jacp[rxnarray[6,rxnind],rxnarray[4,rxnind]] -= gderiv
@inbounds jacp[rxnarray[6,rxnind],rxnarray[5,rxnind]] -= gderiv
@inbounds jacp[rxnarray[4,rxnind],rxnarray[6,rxnind]] -= gderiv
@inbounds jacp[rxnarray[5,rxnind],rxnarray[6,rxnind]] -= gderiv
@inbounds jacp[rxnarray[6,rxnind],rxnarray[6,rxnind]] -= gderiv
@inbounds _spreadproductpartials!(jacp,gderiv,rxnarray,rxnind,rxnarray[6,rxnind])
@inbounds jacp[rxnarray[5,rxnind],rxnarray[5,rxnind]] -= gderiv
@inbounds _spreadproductpartials!(jacp,gderiv,rxnarray,rxnind,rxnarray[5,rxnind])
if @inbounds rxnarray[6,rxnind] !== 0
@inbounds jacp[rxnarray[6,rxnind],rxnarray[5,rxnind]] -= gderiv
@inbounds jacp[rxnarray[5,rxnind],rxnarray[6,rxnind]] -= gderiv
@inbounds jacp[rxnarray[6,rxnind],rxnarray[6,rxnind]] -= gderiv
@inbounds _spreadproductpartials!(jacp,gderiv,rxnarray,rxnind,rxnarray[6,rxnind])
if @inbounds rxnarray[7,rxnind] !== 0
@inbounds jacp[rxnarray[7,rxnind],rxnarray[5,rxnind]] -= gderiv
@inbounds jacp[rxnarray[7,rxnind],rxnarray[6,rxnind]] -= gderiv
@inbounds jacp[rxnarray[5,rxnind],rxnarray[7,rxnind]] -= gderiv
@inbounds jacp[rxnarray[6,rxnind],rxnarray[7,rxnind]] -= gderiv
@inbounds jacp[rxnarray[7,rxnind],rxnarray[7,rxnind]] -= gderiv
@inbounds _spreadproductpartials!(jacp,gderiv,rxnarray,rxnind,rxnarray[7,rxnind])
if @inbounds rxnarray[8,rxnind] !== 0
@inbounds jacp[rxnarray[8,rxnind],rxnarray[5,rxnind]] -= gderiv
@inbounds jacp[rxnarray[8,rxnind],rxnarray[6,rxnind]] -= gderiv
@inbounds jacp[rxnarray[8,rxnind],rxnarray[7,rxnind]] -= gderiv
@inbounds jacp[rxnarray[5,rxnind],rxnarray[8,rxnind]] -= gderiv
@inbounds jacp[rxnarray[6,rxnind],rxnarray[8,rxnind]] -= gderiv
@inbounds jacp[rxnarray[7,rxnind],rxnarray[8,rxnind]] -= gderiv
@inbounds jacp[rxnarray[8,rxnind],rxnarray[8,rxnind]] -= gderiv
@inbounds _spreadproductpartials!(jacp,gderiv,rxnarray,rxnind,rxnarray[8,rxnind])
end
end
end
end
Expand All @@ -2794,16 +2846,20 @@ end
@fastmath @inbounds fderiv = kfs[rxnind]*kfs[rxnind]/(p[Nspcs+rxnind]*p[Nspcs+rxnind])*cs[rxnarray[1,rxnind]]
elseif @inbounds rxnarray[3,rxnind] == 0
@fastmath @inbounds fderiv = kfs[rxnind]*kfs[rxnind]/(p[Nspcs+rxnind]*p[Nspcs+rxnind])*cs[rxnarray[1,rxnind]]*cs[rxnarray[2,rxnind]]
else
elseif rxnarray[4,rxnind] == 0
@fastmath @inbounds fderiv = kfs[rxnind]*kfs[rxnind]/(p[Nspcs+rxnind]*p[Nspcs+rxnind])*cs[rxnarray[1,rxnind]]*cs[rxnarray[2,rxnind]]*cs[rxnarray[3,rxnind]]
else
@fastmath @inbounds fderiv = kfs[rxnind]*kfs[rxnind]/(p[Nspcs+rxnind]*p[Nspcs+rxnind])*cs[rxnarray[1,rxnind]]*cs[rxnarray[2,rxnind]]*cs[rxnarray[3,rxnind]]*cs[rxnarray[4,rxnind]]
end

if @inbounds rxnarray[5,rxnind] == 0
@fastmath @inbounds rderiv = kfs[rxnind]*krevs[rxnind]/(p[Nspcs+rxnind]*p[Nspcs+rxnind])*cs[rxnarray[4,rxnind]]
elseif @inbounds rxnarray[6,rxnind] == 0
@fastmath @inbounds rderiv = kfs[rxnind]*krevs[rxnind]/(p[Nspcs+rxnind]*p[Nspcs+rxnind])*cs[rxnarray[4,rxnind]]*cs[rxnarray[5,rxnind]]
if @inbounds rxnarray[6,rxnind] == 0
@fastmath @inbounds rderiv = kfs[rxnind]*krevs[rxnind]/(p[Nspcs+rxnind]*p[Nspcs+rxnind])*cs[rxnarray[5,rxnind]]
elseif @inbounds rxnarray[7,rxnind] == 0
@fastmath @inbounds rderiv = kfs[rxnind]*krevs[rxnind]/(p[Nspcs+rxnind]*p[Nspcs+rxnind])*cs[rxnarray[5,rxnind]]*cs[rxnarray[6,rxnind]]
elseif @inbounds rxnarray[8,rxnind] == 0
@fastmath @inbounds rderiv = kfs[rxnind]*krevs[rxnind]/(p[Nspcs+rxnind]*p[Nspcs+rxnind])*cs[rxnarray[5,rxnind]]*cs[rxnarray[6,rxnind]]*cs[rxnarray[7,rxnind]]
else
@fastmath @inbounds rderiv = kfs[rxnind]*krevs[rxnind]/(p[Nspcs+rxnind]*p[Nspcs+rxnind])*cs[rxnarray[4,rxnind]]*cs[rxnarray[5,rxnind]]*cs[rxnarray[6,rxnind]]
@fastmath @inbounds rderiv = kfs[rxnind]*krevs[rxnind]/(p[Nspcs+rxnind]*p[Nspcs+rxnind])*cs[rxnarray[5,rxnind]]*cs[rxnarray[6,rxnind]]*cs[rxnarray[7,rxnind]]*cs[rxnarray[8,rxnind]]
end

@fastmath flux = fderiv-rderiv
Expand All @@ -2826,23 +2882,43 @@ end
@inbounds jacp[rxnarray[2,rxnind],rxnarray[3,rxnind]] -= gderiv
@inbounds jacp[rxnarray[3,rxnind],rxnarray[3,rxnind]] -= gderiv
@inbounds _spreadreactantpartials!(jacp,gderiv,rxnarray,rxnind,rxnarray[3,rxnind])
if @inbounds rxnarray[4,rxnind] !== 0
@inbounds jacp[rxnarray[4,rxnind],rxnarray[1,rxnind]] -= gderiv
@inbounds jacp[rxnarray[4,rxnind],rxnarray[2,rxnind]] -= gderiv
@inbounds jacp[rxnarray[4,rxnind],rxnarray[3,rxnind]] -= gderiv
@inbounds jacp[rxnarray[1,rxnind],rxnarray[4,rxnind]] -= gderiv
@inbounds jacp[rxnarray[2,rxnind],rxnarray[4,rxnind]] -= gderiv
@inbounds jacp[rxnarray[3,rxnind],rxnarray[4,rxnind]] -= gderiv
@inbounds jacp[rxnarray[4,rxnind],rxnarray[4,rxnind]] -= gderiv
@inbounds _spreadreactantpartials!(jacp,gderiv,rxnarray,rxnind,rxnarray[4,rxnind])
end
end
end

@inbounds jacp[rxnarray[4,rxnind],rxnarray[4,rxnind]] -= gderiv
@inbounds _spreadproductpartials!(jacp,gderiv,rxnarray,rxnind,rxnarray[4,rxnind])
if @inbounds rxnarray[5,rxnind] !== 0
@inbounds jacp[rxnarray[5,rxnind],rxnarray[4,rxnind]] -= gderiv
@inbounds jacp[rxnarray[4,rxnind],rxnarray[5,rxnind]] -= gderiv
@inbounds jacp[rxnarray[5,rxnind],rxnarray[5,rxnind]] -= gderiv
@inbounds _spreadproductpartials!(jacp,gderiv,rxnarray,rxnind,rxnarray[5,rxnind])
if @inbounds rxnarray[6,rxnind] !== 0
@inbounds jacp[rxnarray[6,rxnind],rxnarray[4,rxnind]] -= gderiv
@inbounds jacp[rxnarray[6,rxnind],rxnarray[5,rxnind]] -= gderiv
@inbounds jacp[rxnarray[4,rxnind],rxnarray[6,rxnind]] -= gderiv
@inbounds jacp[rxnarray[5,rxnind],rxnarray[6,rxnind]] -= gderiv
@inbounds jacp[rxnarray[6,rxnind],rxnarray[6,rxnind]] -= gderiv
@inbounds _spreadproductpartials!(jacp,gderiv,rxnarray,rxnind,rxnarray[6,rxnind])
@inbounds jacp[rxnarray[5,rxnind],rxnarray[5,rxnind]] -= gderiv
@inbounds _spreadproductpartials!(jacp,gderiv,rxnarray,rxnind,rxnarray[5,rxnind])
if @inbounds rxnarray[6,rxnind] !== 0
@inbounds jacp[rxnarray[6,rxnind],rxnarray[5,rxnind]] -= gderiv
@inbounds jacp[rxnarray[5,rxnind],rxnarray[6,rxnind]] -= gderiv
@inbounds jacp[rxnarray[6,rxnind],rxnarray[6,rxnind]] -= gderiv
@inbounds _spreadproductpartials!(jacp,gderiv,rxnarray,rxnind,rxnarray[6,rxnind])
if @inbounds rxnarray[7,rxnind] !== 0
@inbounds jacp[rxnarray[7,rxnind],rxnarray[5,rxnind]] -= gderiv
@inbounds jacp[rxnarray[7,rxnind],rxnarray[6,rxnind]] -= gderiv
@inbounds jacp[rxnarray[5,rxnind],rxnarray[7,rxnind]] -= gderiv
@inbounds jacp[rxnarray[6,rxnind],rxnarray[7,rxnind]] -= gderiv
@inbounds jacp[rxnarray[7,rxnind],rxnarray[7,rxnind]] -= gderiv
@inbounds _spreadproductpartials!(jacp,gderiv,rxnarray,rxnind,rxnarray[7,rxnind])
if @inbounds rxnarray[8,rxnind] !== 0
@inbounds jacp[rxnarray[8,rxnind],rxnarray[5,rxnind]] -= gderiv
@inbounds jacp[rxnarray[8,rxnind],rxnarray[6,rxnind]] -= gderiv
@inbounds jacp[rxnarray[8,rxnind],rxnarray[7,rxnind]] -= gderiv
@inbounds jacp[rxnarray[5,rxnind],rxnarray[8,rxnind]] -= gderiv
@inbounds jacp[rxnarray[6,rxnind],rxnarray[8,rxnind]] -= gderiv
@inbounds jacp[rxnarray[7,rxnind],rxnarray[8,rxnind]] -= gderiv
@inbounds jacp[rxnarray[8,rxnind],rxnarray[8,rxnind]] -= gderiv
@inbounds _spreadproductpartials!(jacp,gderiv,rxnarray,rxnind,rxnarray[8,rxnind])
end
end
end
end
Expand Down
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