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Improve reallocation in reinit data #146

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merged 2 commits into from
Jul 21, 2023
Merged

Improve reallocation in reinit data #146

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5cd2be8
Improve reallocation in reinit data
parikshitbajpai Jul 21, 2023
111780f
Merge branch 'master' into APIUtils
parikshitbajpai Jul 21, 2023
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36 changes: 27 additions & 9 deletions src/reinit/SaveReinitData.f90
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Original file line number Diff line number Diff line change
Expand Up @@ -37,8 +37,6 @@ subroutine SaveReinitData

implicit none

lReinitAvailable = .FALSE.

! If error has occurred, do not save
if (INFOThermo /= 0) return
! If a calculation has not run, do not save
Expand All @@ -47,14 +45,34 @@ subroutine SaveReinitData
! (this seems to cause errors for new conditions where solution phase should be stable)
if (nSolnPhases == 0) return

! Initialize storage variables if not allocated already
if (.NOT. lReinitAvailable) then
if (allocated(dMolesPhase_Old)) deallocate(dMolesPhase_Old,dChemicalPotential_Old,dElementPotential_Old,&
dMolFraction_Old,iAssemblage_Old)
allocate(dMolesPhase_Old(nElements),dChemicalPotential_Old(nSpecies),dElementPotential_Old(nElements),&
dMolFraction_Old(nSpecies))
! Initialize storage variables if not allocated already at the right size

! nElements
if (allocated(dMolesPhase_Old) .AND. sizeof(dMolesPhase_Old) < nElements) &
deallocate(dMolesPhase_Old)
if (.NOT. allocated(dMolesPhase_Old)) &
allocate(dMolesPhase_Old(nElements))

if (allocated(dElementPotential_Old) .AND. sizeof(dElementPotential_Old) < nElements) &
deallocate(dElementPotential_Old)
if (.NOT. allocated(dElementPotential_Old)) &
allocate(dElementPotential_Old(nElements))

if (allocated(iAssemblage_Old) .AND. sizeof(iAssemblage_Old) < nElements) &
deallocate(iAssemblage_Old)
if (.NOT. allocated(iAssemblage_Old)) &
allocate(iAssemblage_Old(nElements))
endif

!nSpecies
if (allocated(dChemicalPotential_Old) .AND. sizeof(dChemicalPotential_Old) < nSpecies) &
deallocate(dChemicalPotential_Old)
if (.NOT. allocated(dChemicalPotential_Old)) &
allocate(dChemicalPotential_Old(nSpecies))

if (allocated(dMolFraction_Old) .AND. sizeof(dMolFraction_Old) < nSpecies) &
deallocate(dMolFraction_Old)
if (.NOT. allocated(dMolFraction_Old)) &
allocate(dMolFraction_Old(nSpecies))

! Save old chemical potential data
dChemicalPotential_Old = dChemicalPotential
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