Add documentation for MDI library functions
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@ -4981,6 +4981,24 @@ int lammps_get_last_error_message(void *handle, char *buffer, int buf_size) {
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// ----------------------------------------------------------------------
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// MDI functions
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// ----------------------------------------------------------------------
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/** Initialize an instance of LAMMPS as an MDI plugin
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\verbatim embed:rst
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This function is called by the MDI Library when LAMMPS is run as a
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plugin, and should not otherwise be used. The function initializes
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MDI, then initializes an instance of LAMMPS. The command-line
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arguments ``argc`` and ``argv`` used to initialize LAMMPS are recieved
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from MDI. The LAMMPS instance runs an input file, which must include the
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``mdi_engine`` command; when LAMMPS executes this command, it will begin
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listening for commands from the driver. The name of the input file is
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obtained from the ``-in`` command-line argument, which must be provided
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by the driver.
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\endverbatim
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*
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* \param command string buffer corresponding to the command to be executed
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* \param comm MDI communicator that can be used to communicated with the driver.
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* \param class_obj pointer to an instance of an mdi/engine fix cast to ``void *``.
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* \return 0 on no error. */
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int MDI_Plugin_init_lammps()
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{
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// initialize MDI
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@ -5029,12 +5047,25 @@ int MDI_Plugin_init_lammps()
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return 0;
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}
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/** Execute an MDI command
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\verbatim embed:rst
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This function is called by the MDI Library when LAMMPS is run as a
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plugin, and should not otherwise be used. The function executes a
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single command from an external MDI driver. If the LAMMPS library
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was compiled without ``-DLMP_USER_MDI``, the function will fail and
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return a "1".
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\endverbatim
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*
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* \param command string buffer corresponding to the command to be executed
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* \param comm MDI communicator that can be used to communicated with the driver.
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* \param class_obj pointer to an instance of an mdi/engine fix cast to ``void *``.
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* \return 0 on no error, 1 on error. */
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int lammps_execute_mdi_command(const char* command, MDI_Comm comm, void* class_obj)
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{
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#if defined(LMP_USER_MDI)
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FixMDIEngine *mdi_fix = (FixMDIEngine*) class_obj;
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mdi_fix->execute_command(command, comm);
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return 0;
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return mdi_fix->execute_command(command, comm);
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#else
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return 1;
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#endif
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