info added to user-contributed solver

KineticPreProcessor · Jul 4, 2022 · 0a4a95e · 0a4a95e
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diff --git a/docs/source/citations/09_acknowledgments.rst b/docs/source/citations/09_acknowledgments.rst
@@ -25,12 +25,15 @@ This work has been supported by:
 We thank Jason Lander for his suggestions how
 to migrate from to :program:`yacc` to :program:`bison`.
 
-Shaddy Ahmed and Jennie Thomas helped us with the Matlab
-output of KPP.
-
 We would also like to thank Lucas Estrada for his assistance in
 setting up the :ref:`ci-tests` on `Azure DevOps Pipelines
 <https://azure.microsoft.com/en-us/services/devops/pipelines/>`_. and
 for assistance with debugging.
 
+Shaddy Ahmed and Jennie Thomas helped us with the Matlab
+output of KPP.
+
+We thank Domenico Taraborrelli for providing the
+rosenbrock_posdef_h211b_qssa solver.
+
 Parts of this user manual are based on :cite:t:`Damian-Iordache_1996`.
diff --git a/int/user_contributed/rosenbrock_posdef_h211b_qssa.f90 b/int/user_contributed/rosenbrock_posdef_h211b_qssa.f90
@@ -1,7 +1,26 @@
-! rosenbrock_posdef_h211b_qssa: D. Taraborrelli & G. Fanourgakis
+! rosenbrock_posdef_h211b_qssa: Domenico Taraborrelli
 ! positive definite following a suggestion from Adrian
 ! see "MAX(Ynew,ZERO)" for details
 
+!~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~!
+!  Addition of stiffness reduction and other time step controller         !
+!  to Rosenbrock solvers                                                  !
+!                                                                         !
+!  Stiffness reduction                                                    !
+!    It is based on Turanyi et al.,https://doi.org/10.1021/j100103a028    !
+!    - use of DAE QSSA                                                    !
+!    - increase of first time step depending on induction time            !
+!                                                                         !
+!    Note: other QSSA explicit integrators implemented but not suitable!  !
+!                                                                         !
+!  Time step controller                                                   !
+!    It is based of Söderlind(2003),https://doi.org/10.1145/641876.641877 !
+!    - implementation of the H211b family of controllers                  !
+!                                                                         !
+!  Please contact Domenico Taraborrelli (d.taraborrelli@fz-juelich.de)    ! 
+!  if interested in using this solver.                                    !
+!~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~!
+
 !~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~!
 !  Rosenbrock - Implementation of several Rosenbrock methods:             !
 !               * Ros2                                                    !
@@ -126,7 +145,7 @@ SUBROUTINE INTEGRATE( TIN,       TOUT,      ICNTRL_U, RCNTRL_U,  &
    VAR => NULL()
    FIX => NULL()
 
-   !~~~> Debug option: show number ofsteps
+   !~~~> Debug option: show number of steps
    ! Ntotal = Ntotal + ISTATUS(Nstp)
    ! PRINT*,'NSTEPS=',ISTATUS(Nstp),' (',Ntotal,')','  O3=', VAR(ind_O3)
 
@@ -826,10 +845,6 @@ SUBROUTINE ros_Integrator (Y, Tstart, Tend, T,  &
    RejectLastH=.FALSE.
    RejectMoreH=.FALSE.
 
-!    print *, 'Before integration'
-!    print *, 'Iqssa(NO)=',Iqssa(324), 'tau(NO)=', 1./L(324), 's'
-!    print *, 'Iqssa(NO2)=',Iqssa(325), 'tau(NO2)=', 1./L(325), 's'
-
 !~~~> Time loop begins below
 
 TimeLoop: DO WHILE ( (Direction > 0).AND.((T-Tend)+Roundoff <= ZERO) &