Skip to content
Snippets Groups Projects
Commit 032612db authored by Roberto Porcu's avatar Roberto Porcu Committed by Jordan Musser
Browse files

Fix the Jacobian possible inputs for the chemistry section (!109)

parent 67726c7f
No related branches found
No related tags found
1 merge request!109Fix the Jacobian possible inputs for the chemistry section
Pipeline #43107 failed
Stage: build-docs
Stage: deploy
Hide whitespace changes
Inline Side-by-side
docs/source_docs/user_guide/inputs/chemical_reactions.rst
+ 49
− 49
View file @ 032612db
......@@ -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.
......
0% or .
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment