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Fix the Jacobian possible inputs for the chemistry section

Merged Roberto Porcu requested to merge rporcu/docs:update_chemistry_inputs into main
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@@ -52,55 +52,55 @@ time to enable caching of the numerical approximation of the Jacobian matrix
is selected. The following inputs can be specified using the
``chemistry.integrator`` prefix:
+--------------------------------+---------------------------------------------------------------+----------+---------+
| | Description | Type | Default |
+================================+===============================================================+==========+=========+
| burner_verbose | Enables the printing on screen of some integration statistics | int | 0 |
+--------------------------------+---------------------------------------------------------------+----------+---------+
| ode_max_steps | The maximum number of substeps for the ODE integration | int | 150000 |
+--------------------------------+---------------------------------------------------------------+----------+---------+
| jacobian_type | Select how to compute the jacobian for the ODE iterative | int | 0 |
| | solver. Available choices are: | | |
| | | | |
| | * 0 for a first-order numerical approximation | | |
| | * 1 for the analytical jacobian (not available yet) | | |
+--------------------------------+---------------------------------------------------------------+----------+---------+
| atol | Absolute tolerance for the ODE integration error test between | Real | 1.e-6 |
| | the solution and the fine-step solution | | |
+--------------------------------+---------------------------------------------------------------+----------+---------+
| rtol | Relative tolerance for the ODE integration error test between | Real | 1.e-6 |
| | the solution and the fine-step solution | | |
+--------------------------------+---------------------------------------------------------------+----------+---------+
| retry_atol | Overwrites the absolute tolerance value atol in case the ODE | Real | -1 |
| | integration fails | | |
+--------------------------------+---------------------------------------------------------------+----------+---------+
| retry_rtol | Overwrites the relative tolerance value rtol in case the ODE | Real | -1 |
| | integration fails | | |
+--------------------------------+---------------------------------------------------------------+----------+---------+
| retry_swap_jacobian | Swaps the type of jacobian (from 1 to 0 or vice versa) in | int | 1 |
| | case the ODE integration fails | | |
+--------------------------------+---------------------------------------------------------------+----------+---------+
| ode_max_dt | Maximum timestep size for the ODE integration substeps | Real | 1.e30 |
+--------------------------------+---------------------------------------------------------------+----------+---------+
| maximum_timestep_change_factor | Only for StiffSolver::ForwardEuler, sets a maximum factor | Real | 1.001 |
| | for the change of the timestep for the internal substeps | | |
+--------------------------------+---------------------------------------------------------------+----------+---------+
| max_iter | Maximum number of iterations for the internal Newton solver | int | 100 |
+--------------------------------+---------------------------------------------------------------+----------+---------+
| linalg_do_pivoting | Only for StiffSolver::BackwardEuler and StiffSolver::VODE, | int | 1 |
| | switches on/off the pivoting when solving the linear algebra | | |
| | problem associated to the internal Newton solver | | |
+--------------------------------+---------------------------------------------------------------+----------+---------+
| rp_rtol | Relative tolerance for the convergence test of the internal | Real | 1.e-6 |
| | Newton solver. Valid only for StiffSolver::BackwardEuler | | |
+--------------------------------+---------------------------------------------------------------+----------+---------+
| use_jacobian_caching | Only for StiffSolver::VODE, enables caching the numerical | int | 1 |
| | jacobian | | |
+--------------------------------+---------------------------------------------------------------+----------+---------+
| X_reject_buffer | Only for StiffSolver::VODE, constrain species abundances | Real | 1.0 |
| | such that they don't change by more than a certain factor in | | |
| | a given step | | |
+--------------------------------+---------------------------------------------------------------+----------+---------+
+-----------------------+---------------------------------------------------------------------+--------+-----------+
| | Description | Type | Default |
+=======================+=====================================================================+========+===========+
| burner_verbose | Enables the printing on screen of some integration statistics | int | 0 |
+-----------------------+---------------------------------------------------------------------+--------+-----------+
| ode_max_steps | The maximum number of substeps for the ODE integration | int | 150000 |
+-----------------------+---------------------------------------------------------------------+--------+-----------+
| jacobian_type | Select how to compute the jacobian for the ODE iterative | string | Numerical |
| | solver. Available choices are: | | |
| | | | |
| | * ``Numerical`` for a first-order numerical approximation | | |
| | * ``Broyden`` for Broyden's method (only for BackwardEuler) | | |
+-----------------------+---------------------------------------------------------------------+--------+-----------+
| atol | Absolute tolerance for the ODE integration error test between | Real | 1.e-6 |
| | the solution and the fine-step solution | | |
+-----------------------+---------------------------------------------------------------------+--------+-----------+
| rtol | Relative tolerance for the ODE integration error test between | Real | 1.e-6 |
| | the solution and the fine-step solution | | |
+-----------------------+---------------------------------------------------------------------+--------+-----------+
| retry_atol | Overwrites the absolute tolerance value atol in case the ODE | Real | -1 |
| | integration fails | | |
+-----------------------+---------------------------------------------------------------------+--------+-----------+
| retry_rtol | Overwrites the relative tolerance value rtol in case the ODE | Real | -1 |
| | integration fails | | |
+-----------------------+---------------------------------------------------------------------+--------+-----------+
| retry_swap_jacobian | Swaps the type of jacobian (from 1 to 0 or vice versa) in | int | 1 |
| | case the ODE integration fails | | |
+-----------------------+---------------------------------------------------------------------+--------+-----------+
| ode_max_dt | Maximum timestep size for the ODE integration substeps | Real | 1.e30 |
+-----------------------+---------------------------------------------------------------------+--------+-----------+
| max_dt_change_factor | Only for StiffSolver::ForwardEuler, sets a maximum factor | Real | 1.001 |
| | for the change of the timestep for the internal substeps | | |
+-----------------------+---------------------------------------------------------------------+--------+-----------+
| max_iter | Maximum number of iterations for the internal Newton solver | int | 100 |
+-----------------------+---------------------------------------------------------------------+--------+-----------+
| linalg_do_pivoting | Only for StiffSolver::BackwardEuler and StiffSolver::VODE, | int | 1 |
| | switches on/off the pivoting when solving the linear algebra | | |
| | problem associated to the internal Newton solver | | |
+-----------------------+---------------------------------------------------------------------+--------+-----------+
| rp_rtol | Relative tolerance for the convergence test of the internal | Real | 1.e-6 |
| | Newton solver. Valid only for StiffSolver::BackwardEuler | | |
+-----------------------+---------------------------------------------------------------------+--------+-----------+
| use_jacobian_caching | Only for StiffSolver::VODE, enables caching the numerical | int | 1 |
| | jacobian | | |
+-----------------------+---------------------------------------------------------------------+--------+-----------+
| X_reject_buffer | Only for StiffSolver::VODE, constrain species abundances | Real | 1.0 |
| | such that they don't change by more than a certain factor in | | |
| | a given step | | |
+-----------------------+---------------------------------------------------------------------+--------+-----------+
Below is an example for specifying chemical reactions for MFIX-Exa.
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