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tstop-copy #292

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Jul 6, 2023
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tstop-copy #292

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6706220
Changed default 'tstop' behavior of ARKODE and CVODE(S) to copy the i…
drreynolds Jun 22, 2023
0212a35
Renamed *InterpolateStopTime to *SetInterpolateStopTime
drreynolds Jun 23, 2023
f113c65
Merge branch 'develop' into feature/tstop-copy
balos1 Jun 29, 2023
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7 changes: 7 additions & 0 deletions CHANGELOG.md
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Expand Up @@ -10,6 +10,13 @@ Updated the F2003 utility routines `SUNDIALSFileOpen` and `SUNDIALSFileClose`
to support user specification of `stdout` and `stderr` strings for the output
file names.

Updated CVODE, CVODES and ARKODE default behavior when returning the solution when
the internal time has reached a user-specified stop time. Previously, the output
solution was interpolated to the value of `tstop`; the default is now to copy the
internal solution vector. Users who wish to revert to interpolation may call a new
routine `CVodeInterpolateStopTime`, `ARKStepInterpolateStopTime`,
`ERKStepInterpolateStopTime`, or `MRIStepInterpolateStopTime`.

## Changes to SUNDIALS in release 6.5.1

Added the functions `ARKStepClearStopTime`, `ERKStepClearStopTime`,
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7 changes: 7 additions & 0 deletions doc/arkode/guide/source/Introduction.rst
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Expand Up @@ -130,6 +130,13 @@ Updated the F2003 utility routines :c:func:`SUNDIALSFileOpen` and :c:func:`SUNDI
to support user specification of ``stdout`` and ``stderr`` strings for the output
file names.

Updated the default ARKODE behavior when returning the solution when
the internal time has reached a user-specified stop time. Previously, the output
solution was interpolated to the value of ``tstop``; the default is now to copy the
internal solution vector. Users who wish to revert to interpolation may call a new
routine :c:func:`ARKStepInterpolateStopTime`, :c:func:`ERKStepInterpolateStopTime`,
or :c:func:`MRIStepInterpolateStopTime`.

Changes in v5.5.1
-----------------

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18 changes: 18 additions & 0 deletions doc/arkode/guide/source/Usage/ARKStep_c_interface/User_callable.rst
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Expand Up @@ -876,6 +876,7 @@ Maximum no. of internal steps before *tout* :c:func:`ARKStepSetMaxNumSteps
Maximum absolute step size :c:func:`ARKStepSetMaxStep` :math:`\infty`
Minimum absolute step size :c:func:`ARKStepSetMinStep` 0.0
Set a value for :math:`t_{stop}` :c:func:`ARKStepSetStopTime` undefined
Interpolate at :math:`t_{stop}` :c:func:`ARKStepInterpolateStopTime` ``SUNFALSE``
Disable the stop time :c:func:`ARKStepClearStopTime` N/A
Supply a pointer for user data :c:func:`ARKStepSetUserData` ``NULL``
Maximum no. of ARKStep error test failures :c:func:`ARKStepSetMaxErrTestFails` 7
Expand Down Expand Up @@ -1267,6 +1268,23 @@ Set max number of constraint failures :c:func:`ARKStepSetMaxNumConst
:c:func:`ARKStepClearStopTime`.


.. c:function:: int ARKStepInterpolateStopTime(void* arkode_mem, booleantype interp)

Specifies that the output solution should be interpolated when the current
:math:`t` equals the specified ``tstop`` (instead of merely copying the
internal solution :math:`y_n`).

**Arguments:**
* *arkode_mem* -- pointer to the ARKStep memory block.
* *interp* -- flag indicating to use interpolation (1) or copy (0).

**Return value:**
* *ARK_SUCCESS* if successful
* *ARK_MEM_NULL* if the ARKStep memory is ``NULL``

.. versionadded:: 5.6.0


.. c:function:: int ARKStepClearStopTime(void* arkode_mem)

Disables the stop time set with :c:func:`ARKStepSetStopTime`.
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19 changes: 19 additions & 0 deletions doc/arkode/guide/source/Usage/ERKStep_c_interface/User_callable.rst
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Expand Up @@ -496,6 +496,8 @@ Optional inputs for ERKStep
+----------------------------------------------------+-----------------------------------------+------------------------+
| Set a value for :math:`t_{stop}` | :c:func:`ERKStepSetStopTime()` | undefined |
+----------------------------------------------------+-----------------------------------------+------------------------+
| Interpolate at :math:`t_{stop}` | :c:func:`ERKStepInterpolateStopTime()` | ``SUNFALSE`` |
+----------------------------------------------------+-----------------------------------------+------------------------+
| Disable the stop time | :c:func:`ERKStepClearStopTime` | N/A |
+----------------------------------------------------+-----------------------------------------+------------------------+
| Supply a pointer for user data | :c:func:`ERKStepSetUserData()` | ``NULL`` |
Expand Down Expand Up @@ -886,6 +888,23 @@ Optional inputs for ERKStep
:c:func:`ERKStepClearStopTime`.


.. c:function:: int ERKStepInterpolateStopTime(void* arkode_mem, booleantype interp)

Specifies that the output solution should be interpolated when the current
:math:`t` equals the specified ``tstop`` (instead of merely copying the
internal solution :math:`y_n`).

**Arguments:**
* *arkode_mem* -- pointer to the ERKStep memory block.
* *interp* -- flag indicating to use interpolation (1) or copy (0).

**Return value:**
* *ARK_SUCCESS* if successful
* *ARK_MEM_NULL* if the ARKStep memory is ``NULL``

.. versionadded:: 5.6.0


.. c:function:: int ERKStepClearStopTime(void* arkode_mem)

Disables the stop time set with :c:func:`ERKStepSetStopTime`.
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19 changes: 19 additions & 0 deletions doc/arkode/guide/source/Usage/MRIStep_c_interface/User_callable.rst
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Expand Up @@ -695,6 +695,8 @@ Optional inputs for MRIStep
+---------------------------------------------------------------+-----------------------------------------+------------------------+
| Set a value for :math:`t_{stop}` | :c:func:`MRIStepSetStopTime()` | undefined |
+---------------------------------------------------------------+-----------------------------------------+------------------------+
| Interpolate at :math:`t_{stop}` | :c:func:`MRIStepInterpolateStopTime()` | ``SUNFALSE`` |
+---------------------------------------------------------------+-----------------------------------------+------------------------+
| Disable the stop time | :c:func:`MRIStepClearStopTime` | N/A |
+---------------------------------------------------------------+-----------------------------------------+------------------------+
| Supply a pointer for user data | :c:func:`MRIStepSetUserData()` | ``NULL`` |
Expand Down Expand Up @@ -1105,6 +1107,23 @@ Optional inputs for MRIStep
:c:func:`MRIStepClearStopTime`.


.. c:function:: int MRIStepInterpolateStopTime(void* arkode_mem, booleantype interp)

Specifies that the output solution should be interpolated when the current
:math:`t` equals the specified ``tstop`` (instead of merely copying the
internal solution :math:`y_n`).

**Arguments:**
* *arkode_mem* -- pointer to the MRIStep memory block.
* *interp* -- flag indicating to use interpolation (1) or copy (0).

**Return value:**
* *ARK_SUCCESS* if successful
* *ARK_MEM_NULL* if the ARKStep memory is ``NULL``

.. versionadded:: 5.6.0


.. c:function:: int MRIStepClearStopTime(void* arkode_mem)

Disables the stop time set with :c:func:`MRIStepSetStopTime`.
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6 changes: 6 additions & 0 deletions doc/cvode/guide/source/Introduction.rst
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Expand Up @@ -118,6 +118,12 @@ Updated the F2003 utility routines :c:func:`SUNDIALSFileOpen` and :c:func:`SUNDI
to support user specification of ``stdout`` and ``stderr`` strings for the output
file names.

Updated the default CVODE behavior when returning the solution when
the internal time has reached a user-specified stop time. Previously, the output
solution was interpolated to the value of ``tstop``; the default is now to copy the
internal solution vector. Users who wish to revert to interpolation may call the
routine :c:func:`CVodeInterpolateStopTime`.

Changes in v6.5.1
-----------------

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19 changes: 19 additions & 0 deletions doc/cvode/guide/source/Usage/index.rst
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Expand Up @@ -852,6 +852,9 @@ Main solver optional input functions
+-------------------------------+---------------------------------------------+----------------+
| Value of :math:`t_{stop}` | :c:func:`CVodeSetStopTime` | undefined |
+-------------------------------+---------------------------------------------+----------------+
| Interpolate at | :c:func:`CVodeInterpolateStopTime` | ``SUNFALSE`` |
| :math:`t_{stop}` | | |
+-------------------------------+---------------------------------------------+----------------+
| Disable the stop time | :c:func:`CVodeClearStopTime` | N/A |
+-------------------------------+---------------------------------------------+----------------+
| Maximum no. of error test | :c:func:`CVodeSetMaxErrTestFails` | 7 |
Expand Down Expand Up @@ -1091,6 +1094,22 @@ Main solver optional input functions
A stop time not reached before a call to :c:func:`CVodeReInit` will
remain active but can be disabled by calling :c:func:`CVodeClearStopTime`.

.. c:function:: int CVodeInterpolateStopTime(void* cvode_mem, booleantype interp)

The function ``CVodeInterpolateStopTime`` specifies that the output solution should be
interpolated when the current :math:`t` equals the specified ``tstop`` (instead of
merely copying the internal solution :math:`y_n`).

**Arguments:**
* ``cvode_mem`` -- pointer to the CVODES memory block.
* ``interp`` -- flag indicating to use interpolation (1) or copy (0).

**Return value:**
* ``CV_SUCCESS`` -- The optional value has been successfully set.
* ``CV_MEM_NULL`` -- The CVODES memory block was not initialized through a previous call to :c:func:`CVodeCreate`.

.. versionadded:: 6.6.0

.. c:function:: int CVodeClearStopTime(void* cvode_mem)

Disables the stop time set with :c:func:`CVodeSetStopTime`.
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6 changes: 6 additions & 0 deletions doc/cvodes/guide/source/Introduction.rst
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Original file line number Diff line number Diff line change
Expand Up @@ -118,6 +118,12 @@ Updated the F2003 utility routines :c:func:`SUNDIALSFileOpen` and :c:func:`SUNDI
to support user specification of ``stdout`` and ``stderr`` strings for the output
file names.

Updated the default CVODES behavior when returning the solution when
the internal time has reached a user-specified stop time. Previously, the output
solution was interpolated to the value of ``tstop``; the default is now to copy the
internal solution vector. Users who wish to revert to interpolation may call the
routine :c:func:`CVodeInterpolateStopTime`.

Changes in v6.5.1
-----------------

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96 changes: 57 additions & 39 deletions doc/cvodes/guide/source/Usage/SIM.rst
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Expand Up @@ -829,45 +829,47 @@ Main solver optional input functions

.. table:: Optional inputs for CVODES

+-------------------------------+---------------------------------------------+----------------+
| **Optional input** | **Function name** | **Default** |
+===============================+=============================================+================+
| Pointer to an error file | :c:func:`CVodeSetErrFile` | ``stderr`` |
+-------------------------------+---------------------------------------------+----------------+
| Error handler function | :c:func:`CVodeSetErrHandlerFn` | internal fn. |
+-------------------------------+---------------------------------------------+----------------+
| User data | :c:func:`CVodeSetUserData` | ``NULL`` |
+-------------------------------+---------------------------------------------+----------------+
| Maximum order for BDF method | :c:func:`CVodeSetMaxOrd` | 5 |
+-------------------------------+---------------------------------------------+----------------+
| Maximum order for Adams | :c:func:`CVodeSetMaxOrd` | 12 |
| method | | |
+-------------------------------+---------------------------------------------+----------------+
| Maximum no. of internal steps | :c:func:`CVodeSetMaxNumSteps` | 500 |
| before :math:`t_{out}` | | |
+-------------------------------+---------------------------------------------+----------------+
| Maximum no. of warnings for | :c:func:`CVodeSetMaxHnilWarns` | 10 |
| :math:`t_n+h=t_n` | | |
+-------------------------------+---------------------------------------------+----------------+
| Flag to activate stability | :c:func:`CVodeSetStabLimDet` | ``SUNFALSE`` |
| limit detection | | |
+-------------------------------+---------------------------------------------+----------------+
| Initial step size | :c:func:`CVodeSetInitStep` | estimated |
+-------------------------------+---------------------------------------------+----------------+
| Minimum absolute step size | :c:func:`CVodeSetMinStep` | 0.0 |
+-------------------------------+---------------------------------------------+----------------+
| Maximum absolute step size | :c:func:`CVodeSetMaxStep` | :math:`\infty` |
+-------------------------------+---------------------------------------------+----------------+
| Value of :math:`t_{stop}` | :c:func:`CVodeSetStopTime` | undefined |
+-------------------------------+---------------------------------------------+----------------+
| Disable the stop time | :c:func:`CVodeClearStopTime` | N/A |
+-------------------------------+---------------------------------------------+----------------+
| Maximum no. of error test | :c:func:`CVodeSetMaxErrTestFails` | 7 |
| failures | | |
+-------------------------------+---------------------------------------------+----------------+
| Inequality constraints on | :c:func:`CVodeSetConstraints` | |
| solution | | |
+-------------------------------+---------------------------------------------+----------------+
+---------------------------------+---------------------------------------------+----------------+
| **Optional input** | **Function name** | **Default** |
+=================================+=============================================+================+
| Pointer to an error file | :c:func:`CVodeSetErrFile` | ``stderr`` |
+---------------------------------+---------------------------------------------+----------------+
| Error handler function | :c:func:`CVodeSetErrHandlerFn` | internal fn. |
+---------------------------------+---------------------------------------------+----------------+
| User data | :c:func:`CVodeSetUserData` | ``NULL`` |
+---------------------------------+---------------------------------------------+----------------+
| Maximum order for BDF method | :c:func:`CVodeSetMaxOrd` | 5 |
+---------------------------------+---------------------------------------------+----------------+
| Maximum order for Adams | :c:func:`CVodeSetMaxOrd` | 12 |
| method | | |
+---------------------------------+---------------------------------------------+----------------+
| Maximum no. of internal steps | :c:func:`CVodeSetMaxNumSteps` | 500 |
| before :math:`t_{out}` | | |
+---------------------------------+---------------------------------------------+----------------+
| Maximum no. of warnings for | :c:func:`CVodeSetMaxHnilWarns` | 10 |
| :math:`t_n+h=t_n` | | |
+---------------------------------+---------------------------------------------+----------------+
| Flag to activate stability | :c:func:`CVodeSetStabLimDet` | ``SUNFALSE`` |
| limit detection | | |
+---------------------------------+---------------------------------------------+----------------+
| Initial step size | :c:func:`CVodeSetInitStep` | estimated |
+---------------------------------+---------------------------------------------+----------------+
| Minimum absolute step size | :c:func:`CVodeSetMinStep` | 0.0 |
+---------------------------------+---------------------------------------------+----------------+
| Maximum absolute step size | :c:func:`CVodeSetMaxStep` | :math:`\infty` |
+---------------------------------+---------------------------------------------+----------------+
| Value of :math:`t_{stop}` | :c:func:`CVodeSetStopTime` | undefined |
+---------------------------------+---------------------------------------------+----------------+
| Interpolate at :math:`t_{stop}` | :c:func:`CVodeInterpolateStopTime` | ``SUNFALSE`` |
+---------------------------------+---------------------------------------------+----------------+
| Disable the stop time | :c:func:`CVodeClearStopTime` | N/A |
+---------------------------------+---------------------------------------------+----------------+
| Maximum no. of error test | :c:func:`CVodeSetMaxErrTestFails` | 7 |
| failures | | |
+---------------------------------+---------------------------------------------+----------------+
| Inequality constraints on | :c:func:`CVodeSetConstraints` | |
| solution | | |
+---------------------------------+---------------------------------------------+----------------+


.. c:function:: int CVodeSetErrFile(void* cvode_mem, FILE * errfp)
Expand Down Expand Up @@ -1096,6 +1098,22 @@ Main solver optional input functions
A stop time not reached before a call to :c:func:`CVodeReInit` will
remain active but can be disabled by calling :c:func:`CVodeClearStopTime`.

.. c:function:: int CVodeInterpolateStopTime(void* cvode_mem, booleantype interp)

The function ``CVodeInterpolateStopTime`` specifies that the output solution should be
interpolated when the current :math:`t` equals the specified ``tstop`` (instead of
merely copying the internal solution :math:`y_n`).

**Arguments:**
* ``cvode_mem`` -- pointer to the CVODES memory block.
* ``interp`` -- flag indicating to use interpolation (1) or copy (0).

**Return value:**
* ``CV_SUCCESS`` -- The optional value has been successfully set.
* ``CV_MEM_NULL`` -- The CVODES memory block was not initialized through a previous call to :c:func:`CVodeCreate`.

.. versionadded:: 6.6.0

.. c:function:: int CVodeClearStopTime(void* cvode_mem)

Disables the stop time set with :c:func:`CVodeSetStopTime`.
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2 changes: 2 additions & 0 deletions include/arkode/arkode_arkstep.h
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Expand Up @@ -240,6 +240,8 @@ SUNDIALS_EXPORT int ARKStepSetMinStep(void *arkode_mem,
realtype hmin);
SUNDIALS_EXPORT int ARKStepSetMaxStep(void *arkode_mem,
realtype hmax);
SUNDIALS_EXPORT int ARKStepInterpolateStopTime(void *arkode_mem,
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booleantype interp);
SUNDIALS_EXPORT int ARKStepSetStopTime(void *arkode_mem,
realtype tstop);
SUNDIALS_EXPORT int ARKStepClearStopTime(void *arkode_mem);
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