diff --git a/src/equilibrate.f90 b/src/equilibrate.f90 index 9e169bd..262e786 100644 --- a/src/equilibrate.f90 +++ b/src/equilibrate.f90 @@ -153,9 +153,10 @@ function create_ChemEquiAnalysis(thermopath, atoms, species, err) result(cea) ! Get composition of each species cea%species_composition = 0.0_dp do j = 1,size(cea%species_names) + jj = cea%dat%id_reactants(j,1) do k = 1,size(cea%dat%reac_atoms_id,1) - if (cea%dat%reac_atoms_id(k,j) > 0) then - i = findloc(cea%dat%id_atoms, cea%dat%reac_atoms_id(k, j), 1) + if (cea%dat%reac_atoms_id(k,jj) > 0) then + i = findloc(cea%dat%id_atoms, cea%dat%reac_atoms_id(k,jj), 1) if (i == 0 .or. i > size(cea%atoms_names) + 1) then err = 'Indexing error during initialization.' return @@ -164,7 +165,7 @@ function create_ChemEquiAnalysis(thermopath, atoms, species, err) result(cea) ! Electron so we skip cycle endif - cea%species_composition(i,j) = cea%dat%reac_stoich(k,j) + cea%species_composition(i,j) = cea%dat%reac_stoich(k,jj) endif enddo enddo