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28 changes: 14 additions & 14 deletions source/equilibrium.f90
Original file line number Diff line number Diff line change
Expand Up @@ -1717,7 +1717,7 @@ subroutine EqSolver_check_condensed_phases(self, soln, iter, made_change)
if (abs(d_phase) > 1) then
! Switch phase
call log_info("Phase change: replace "//trim(self%products%species_names(ng+i))//&
" with "//self%products%species_names(ng+idx_other_phase(j)))
" with "//trim(self%products%species_names(ng+idx_other_phase(j))))
call soln%replace_active_condensed(i, idx_other_phase(j))
soln%nj(ng+idx_other_phase(j)) = soln%nj(ng+i)
soln%nj(ng+i) = 0.0d0
Expand Down Expand Up @@ -1756,7 +1756,7 @@ subroutine EqSolver_check_condensed_phases(self, soln, iter, made_change)
if (soln%T < (T_low_i-dT_phase) .or. soln%T > (T_high_i+dT_phase)) then
! Switch phase
call log_info("Phase change: replace "//trim(self%products%species_names(ng+i))//&
" with "//self%products%species_names(ng+idx_other_phase(j)))
" with "//trim(self%products%species_names(ng+idx_other_phase(j))))
call soln%replace_active_condensed(i, idx_other_phase(j))
soln%nj(ng+idx_other_phase(j)) = soln%nj(ng+i)
soln%nj(ng+i) = 0.0d0
Expand All @@ -1770,7 +1770,7 @@ subroutine EqSolver_check_condensed_phases(self, soln, iter, made_change)
end if

! else
call log_debug("Adding "//self%products%species_names(ng+idx_other_phase(j)))
call log_debug("Adding "//trim(self%products%species_names(ng+idx_other_phase(j))))
soln%T = min(T_high_i, T_high_j) ! Set T as the melting temperature
if (T_high_i > T_high_j) then
soln%j_sol = idx_other_phase(j)
Expand All @@ -1795,7 +1795,7 @@ subroutine EqSolver_check_condensed_phases(self, soln, iter, made_change)

if (soln%T > 1.2d0*max_T_j) then
! Remove condensed species
call log_info("Removing condensed species: "//self%products%species_names(ng+i))
call log_info("Removing condensed species: "//trim(self%products%species_names(ng+i)))
call soln%deactivate_condensed(i)
soln%nj(ng+i) = 0.0d0
soln%converged = .false.
Expand Down Expand Up @@ -1891,7 +1891,7 @@ subroutine EqSolver_test_condensed(self, soln, iter, singular_index)
soln%nj(ng+cond_idx) = 0.0d0
soln%converged = .false.
iter = -1
call log_info("Removing "//self%products%species_names(ng+cond_idx))
call log_info("Removing "//trim(self%products%species_names(ng+cond_idx)))
return
end if

Expand Down Expand Up @@ -1940,11 +1940,11 @@ subroutine EqSolver_test_condensed(self, soln, iter, singular_index)
soln%converged = .false.
iter = -1
soln%last_cond_idx = cond_idx
call log_info("Adding "//self%products%species_names(ng+cond_idx))
call log_info("Adding "//trim(self%products%species_names(ng+cond_idx)))
return
else
call abort('EqSolver_test_condensed: Re-insertion of '// &
self%products%species_names(ng+singular_index_)//' likely to cause singular matrix.')
trim(self%products%species_names(ng+singular_index_))//' likely to cause singular matrix.')
end if

end subroutine
Expand Down Expand Up @@ -2019,7 +2019,7 @@ subroutine EqSolver_correct_singular(self, soln, iter, ierr, singular_index, red
end do
! Remove condensed species contributing to singular matrix
if (idx > 0) then
call log_info("Removing condensed species "//self%products%species_names(ng+idx)// &
call log_info("Removing condensed species "//trim(self%products%species_names(ng+idx))// &
" to correct singular matrix")
call soln%deactivate_condensed(idx)
soln%nj(ng+idx) = 0.0d0
Expand All @@ -2046,7 +2046,7 @@ subroutine EqSolver_correct_singular(self, soln, iter, ierr, singular_index, red
end do

if (idx > 0) then
call log_info("Removing condensed species "//self%products%species_names(ng+idx)// &
call log_info("Removing condensed species "//trim(self%products%species_names(ng+idx))// &
" to correct element-row singularity")
call soln%deactivate_condensed(idx)
soln%nj(ng+idx) = 0.0d0
Expand Down Expand Up @@ -3934,16 +3934,16 @@ subroutine EqDerivatives_compute_fd(self, solver, solution, h, verbose, central)
if (solution%nj(i) > 1.0d-10) then
abs_err = abs(self%dnj_dstate1_fd(i) - self%dnj_dstate1(i))
rel_err = abs_err / max(abs(self%dnj_dstate1(i)), 1.0d-30)
write(*,*) "dnj/dstate1 (", solver%products%species_names(i), "): abs=", abs_err, " rel=", rel_err
write(*,*) "dnj/dstate1 (", trim(solver%products%species_names(i)), "): abs=", abs_err, " rel=", rel_err

abs_err = abs(self%dnj_dstate2_fd(i) - self%dnj_dstate2(i))
rel_err = abs_err / max(abs(self%dnj_dstate2(i)), 1.0d-30)
write(*,*) "dnj/dstate2 (", solver%products%species_names(i), "): abs=", abs_err, " rel=", rel_err
write(*,*) "dnj/dstate2 (", trim(solver%products%species_names(i)), "): abs=", abs_err, " rel=", rel_err

if (nr > 0) then
abs_err = maxval(abs(self%dnj_dw0_fd(i, :) - self%dnj_dw0(i, :)))
rel_err = maxval(abs(self%dnj_dw0_fd(i, :) - self%dnj_dw0(i, :)) / max(abs(self%dnj_dw0(i, :)), 1.0d-30))
write(*,*) "dnj/dw0 (", solver%products%species_names(i), ") (max): abs=", abs_err, " rel=", rel_err
write(*,*) "dnj/dw0 (", trim(solver%products%species_names(i)), ") (max): abs=", abs_err, " rel=", rel_err
end if
end if
end do
Expand Down Expand Up @@ -4197,7 +4197,7 @@ function EqSolution_init(solver, T_init, nj_init) result(self)
if (j > 0) then
! Only count this as an "insert" if it is condensed; no effect otherwise
if (solver%products%species(j)%i_phase > 0) then
call log_info("Inserting "//solver%products%species_names(j))
call log_info("Inserting "//trim(solver%products%species_names(j)))
call self%activate_condensed_front(j-solver%num_gas)
end if
end if
Expand Down Expand Up @@ -5328,7 +5328,7 @@ subroutine compute_transport_properties(eq_solver, eq_soln, frozen_shock)
selected_local_idx(j) = i
transport_to_local(idx(1)) = i
else
call log_info('compute_transport_properties: Species '//eq_solver%products%species_names(idx_list(i))//&
call log_info('compute_transport_properties: Species '//trim(eq_solver%products%species_names(idx_list(i)))//&
' not found in transport database.')
end if
end do
Expand Down
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