the library interface is for calling from C, so switch nullptr in comments/docs back to NULL
This commit is contained in:
Axel Kohlmeyer
@ -105,7 +105,7 @@ LAMMPS executable, and an MPI communicator for LAMMPS to run under.
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Since the list of arguments is **exactly** as when called from the
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command line, the first argument would be the name of the executable and
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thus is otherwise ignored. However ``argc`` may be set to 0 and then
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``argv`` may be ``nullptr``. If MPI is not yet initialized, ``MPI_Init()``
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``argv`` may be ``NULL``. If MPI is not yet initialized, ``MPI_Init()``
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will be called during creation of the LAMMPS class instance.
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If for some reason the creation or initialization of the LAMMPS instance
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@ -117,7 +117,7 @@ fails a null pointer is returned.
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instance as return value. For backward compatibility it is still
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possible to provide the address of a pointer variable as final
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argument *ptr*\ . This use is deprecated and may be removed in
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the future. The *ptr* argument may be ``nullptr`` and is then ignored.
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the future. The *ptr* argument may be ``NULL`` and is then ignored.
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.. note::
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@ -133,7 +133,7 @@ fails a null pointer is returned.
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* \param argv list of command line argument strings
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* \param comm MPI communicator for this LAMMPS instance
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* \param ptr pointer to a void pointer variable which serves
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* as a handle; may be ``nullptr``
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* as a handle; may be ``NULL``
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* \return pointer to new LAMMPS instance cast to ``void *`` */
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void *lammps_open(int argc, char **argv, MPI_Comm comm, void **ptr)
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@ -183,14 +183,14 @@ fails a null pointer is returned.
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instance as return value. For backward compatibility it is still
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possible to provide the address of a pointer variable as final
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argument *ptr*\ . This use is deprecated and may be removed in
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the future. The *ptr* argument may be ``nullptr`` and is then ignored.
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the future. The *ptr* argument may be ``NULL`` and is then ignored.
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\endverbatim
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*
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* \param argc number of command line arguments
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* \param argv list of command line argument strings
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* \param ptr pointer to a void pointer variable
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* which serves as a handle; may be ``nullptr``
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* which serves as a handle; may be ``NULL``
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* \return pointer to new LAMMPS instance cast to ``void *`` */
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void *lammps_open_no_mpi(int argc, char **argv, void **ptr)
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@ -375,14 +375,14 @@ string, however, will be treated as part of the command and will **not**
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start a second command. The function :cpp:func:`lammps_commands_string`
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processes a string with multiple command lines.
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The function returns the name of the command on success or ``nullptr`` when
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The function returns the name of the command on success or ``NULL`` when
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passing a string without a command.
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\endverbatim
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*
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* \param handle pointer to a previously created LAMMPS instance
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* \param cmd string with a single LAMMPS command
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* \return string with parsed command name or ``nullptr`` */
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* \return string with parsed command name or ``NULL`` */
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char *lammps_command(void *handle, const char *cmd)
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{
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@ -671,7 +671,7 @@ double lammps_get_thermo(void *handle, const char *keyword)
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This function (re-)initializes the simulation box and boundary
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information and then assign the designated data to the locations in the
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pointers passed as arguments. Any argument (except the first) may be
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a nullptr pointer and then will not be assigned.
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a NULL pointer and then will not be assigned.
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\endverbatim
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*
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@ -1104,7 +1104,7 @@ to be either an ``int`` or an ``int64_t``. This is selected at
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* \param handle pointer to a previously created LAMMPS instance
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* \param name string with the name of the extracted property
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* \return pointer (cast to ``void *``) to the location of the
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requested property. nullptr if name is not known. */
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requested property. NULL if name is not known. */
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void *lammps_extract_global(void *handle, const char *name)
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{
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@ -1196,7 +1196,7 @@ of the :cpp:func:`Atom::extract() <LAMMPS_NS::Atom::extract>` function.
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* \param handle pointer to a previously created LAMMPS instance
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* \param name string with the name of the extracted property
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* \return pointer (cast to ``void *``) to the location of the
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* requested data or ``nullptr`` if not found. */
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* requested data or ``NULL`` if not found. */
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void *lammps_extract_atom(void *handle, const char *name)
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{
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@ -1246,13 +1246,13 @@ X(1),Y(1),Z(1),X(2),Y(2),Z(2),...,X(N),Y(N),Z(N).
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*
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* \param handle pointer to a previously created LAMMPS instance
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* \param n number of atoms, N, to be added to the system
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* \param id pointer to N atom IDs; ``nullptr`` will generate IDs
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* \param id pointer to N atom IDs; ``NULL`` will generate IDs
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* \param type pointer to N atom types (required)
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* \param x pointer to 3N doubles with x-,y-,z- positions
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of the new atoms (required)
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* \param v pointer to 3N doubles with x-,y-,z- velocities
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of the new atoms (set to 0.0 if ``nullptr``)
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* \param image pointer to N imageint sets of image flags, or ``nullptr``
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of the new atoms (set to 0.0 if ``NULL``)
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* \param image pointer to N imageint sets of image flags, or ``NULL``
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* \param bexpand if 1, atoms outside of shrink-wrap boundaries will
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still be created and not dropped and the box extended
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* \return number of atoms created on success;
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@ -1365,7 +1365,7 @@ dimensions of the respective data. Since computes may provide multiple
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kinds of data, it is required to set style and type flags representing
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what specific data is desired. This also determines to what kind of
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pointer the returned pointer needs to be cast to access the data
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correctly. The function returns ``nullptr`` if the compute ID is not found
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correctly. The function returns ``NULL`` if the compute ID is not found
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or the requested data is not available or current. The following table
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lists the available options.
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@ -1453,7 +1453,7 @@ be used after other LAMMPS commands have been issued.
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* \param type constant indicating type of data (scalar, vector,
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or array) or size of rows or columns
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* \return pointer (cast to ``void *``) to the location of the
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* requested data or ``nullptr`` if not found. */
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* requested data or ``NULL`` if not found. */
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void *lammps_extract_compute(void *handle, char *id, int style, int type)
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{
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@ -1533,7 +1533,7 @@ Since individual fixes may provide multiple kinds of data, it is
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required to set style and type flags representing what specific data is
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desired. This also determines to what kind of pointer the returned
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pointer needs to be cast to access the data correctly. The function
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returns ``nullptr`` if the fix ID is not found or the requested data is not
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returns ``NULL`` if the fix ID is not found or the requested data is not
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available.
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.. note::
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@ -1637,7 +1637,7 @@ been issued.
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* \param nrow row index (only used for global vectors and arrays)
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* \param ncol column index (only used for global arrays)
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* \return pointer (cast to ``void *``) to the location of the
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* requested data or ``nullptr`` if not found. */
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* requested data or ``NULL`` if not found. */
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void *lammps_extract_fix(void *handle, char *id, int style, int type,
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int nrow, int ncol)
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@ -1714,9 +1714,9 @@ identified by its name. The variable must be either an *equal*\ -style
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compatible or an *atom*\ -style variable. Variables of style *internal*
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are compatible with *equal*\ -style variables and so are *python*\
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-style variables, if they return a numeric value. The function returns
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``nullptr`` when a variable of the provided *name* is not found or of an
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``NULL`` when a variable of the provided *name* is not found or of an
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incompatible style. The *group* argument is only used for *atom*\
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-style variables and ignored otherwise. If set to ``nullptr`` when
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-style variables and ignored otherwise. If set to ``NULL`` when
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extracting data from and *atom*\ -style variable, the group is assumed
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to be "all".
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@ -1730,7 +1730,7 @@ to be "all".
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.. code-block:: c
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double *dptr = (double *) lammps_extract_variable(handle,name,nullptr);
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double *dptr = (double *) lammps_extract_variable(handle,name,NULL);
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double value = *dptr;
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lammps_free((void *)dptr);
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@ -1753,9 +1753,9 @@ values will not be updated, in case the variable is re-evaluated.
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*
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* \param handle pointer to a previously created LAMMPS instance
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* \param name name of the variable
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* \param group group-ID for atom style variable or ``nullptr``
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* \param group group-ID for atom style variable or ``NULL``
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* \return pointer (cast to ``void *``) to the location of the
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* requested data or ``nullptr`` if not found. */
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* requested data or ``NULL`` if not found. */
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void *lammps_extract_variable(void *handle, char *name, char *group)
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{
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@ -4142,7 +4142,7 @@ int lammps_neighlist_num_elements(void * handle, int idx) {
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invalid idx or element value
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* \param[out] numneigh number of neighbors of atom iatom or 0
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* \param[out] neighbors pointer to array of neighbor atom local indices or
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* nullptr
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* NULL
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*/
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void lammps_neighlist_element_neighbors(void * handle, int idx, int element, int * iatom, int * numneigh, int ** neighbors) {
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LAMMPS * lmp = (LAMMPS *) handle;
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