Loading src/library.cpp +19 −19 Original line number Diff line number Diff line Loading @@ -425,7 +425,7 @@ void lammps_commands_list(void *handle, int ncmd, const char **cmds) /* ---------------------------------------------------------------------- */ /** \brief Process a block of LAMMPS input commands from a single string. /** Process a block of LAMMPS input commands from a single string. * \verbatim embed:rst Loading Loading @@ -2531,7 +2531,7 @@ void lammps_fix_external_set_virial_global(void *handle, char *id, // Library functions for accessing LAMMPS configuration // ---------------------------------------------------------------------- /** \brief Check if a specific package has been included in LAMMPS /** Check if a specific package has been included in LAMMPS * \verbatim embed:rst This function checks if the LAMMPS library in use includes the Loading @@ -2547,7 +2547,7 @@ int lammps_config_has_package(char * name) { /* ---------------------------------------------------------------------- */ /** \brief Count the number of installed packages in the LAMMPS library. /** Count the number of installed packages in the LAMMPS library. * \verbatim embed:rst This function counts how many :doc:`LAMMPS packages <Packages>` are Loading @@ -2566,7 +2566,7 @@ int lammps_config_package_count() { /* ---------------------------------------------------------------------- */ /** \brief Get the name of a package in the list of installed packages in the LAMMPS library. /** Get the name of a package in the list of installed packages in the LAMMPS library. * \verbatim embed:rst This function copies the name of the package with the index *idx* into the Loading Loading @@ -2594,7 +2594,7 @@ int lammps_config_package_name(int idx, char * buffer, int buf_size) { /* ---------------------------------------------------------------------- */ /** \brief Check if a specific style has been included in LAMMPS /** Check if a specific style has been included in LAMMPS * \verbatim embed:rst This function checks if the LAMMPS library in use includes the Loading @@ -2617,7 +2617,7 @@ int lammps_has_style(void * handle, char * category, char * name) { /* ---------------------------------------------------------------------- */ /** \brief Count the number of styles of category in the LAMMPS library. /** Count the number of styles of category in the LAMMPS library. * \verbatim embed:rst This function counts how many styles in the provided *category* Loading @@ -2638,7 +2638,7 @@ int lammps_style_count(void * handle, char * category) { /* ---------------------------------------------------------------------- */ /** \brief Look up the name of a style by index in the list of style of a given category in the LAMMPS library. /** Look up the name of a style by index in the list of style of a given category in the LAMMPS library. * \verbatim embed:rst This function copies the name of the package with the index *idx* into the Loading Loading @@ -2688,7 +2688,7 @@ int lammps_config_has_mpi_support() /* ---------------------------------------------------------------------- */ /** \brief Check if the LAMMPS library supports compressed files via a pipe to gzip /** Check if the LAMMPS library supports compressed files via a pipe to gzip \verbatim embed:rst Several LAMMPS commands (e.g. :doc:`read_data`, :doc:`write_data`, Loading @@ -2707,7 +2707,7 @@ int lammps_config_has_gzip_support() { /* ---------------------------------------------------------------------- */ /** \brief Check if the LAMMPS library supports writing PNG format images /** Check if the LAMMPS library supports writing PNG format images \verbatim embed:rst The LAMMPS :doc:`dump style image <dump_image>` supports writing multiple Loading @@ -2726,7 +2726,7 @@ int lammps_config_has_png_support() { /* ---------------------------------------------------------------------- */ /** \brief Check if the LAMMPS library supports writing JPEG format images /** Check if the LAMMPS library supports writing JPEG format images \verbatim embed:rst The LAMMPS :doc:`dump style image <dump_image>` supports writing multiple Loading @@ -2744,7 +2744,7 @@ int lammps_config_has_jpeg_support() { /* ---------------------------------------------------------------------- */ /** \brief Check if the LAMMPS library supports creating movie files via a pipe to ffmpeg /** Check if the LAMMPS library supports creating movie files via a pipe to ffmpeg \verbatim embed:rst The LAMMPS :doc:`dump style movie <dump_image>` supports generating movies Loading @@ -2762,7 +2762,7 @@ int lammps_config_has_ffmpeg_support() { /* ---------------------------------------------------------------------- */ /** \brief Check whether LAMMPS errors will throw a C++ exception /** Check whether LAMMPS errors will throw a C++ exception * \verbatim embed:rst In case of errors LAMMPS will either abort or throw a C++ exception. Loading @@ -2779,7 +2779,7 @@ int lammps_config_has_exceptions() { // Library functions for accessing neighbor lists // ---------------------------------------------------------------------- /** \brief Find neighbor list index of pair style neighbor list /** Find neighbor list index of pair style neighbor list * * Try finding pair instance that matches style. If exact is set, the pair must * match style exactly. If exact is 0, style must only be contained. If pair is Loading Loading @@ -2820,7 +2820,7 @@ int lammps_find_pair_neighlist(void* handle, char * style, int exact, int nsub, /* ---------------------------------------------------------------------- */ /** \brief Find neighbor list index of fix neighbor list /** Find neighbor list index of fix neighbor list * * \param handle pointer to a previously created LAMMPS instance cast to ``void *``. * \param id Identifier of fix instance Loading Loading @@ -2857,7 +2857,7 @@ int lammps_find_fix_neighlist(void* handle, char * id, int request) { /* ---------------------------------------------------------------------- */ /** \brief Find neighbor list index of compute neighbor list /** Find neighbor list index of compute neighbor list * * \param handle pointer to a previously created LAMMPS instance cast to ``void *``. * \param id Identifier of fix instance Loading Loading @@ -2894,7 +2894,7 @@ int lammps_find_compute_neighlist(void* handle, char * id, int request) { /* ---------------------------------------------------------------------- */ /** \brief Return the number of entries in the neighbor list with given index /** Return the number of entries in the neighbor list with given index * * \param handle pointer to a previously created LAMMPS instance cast to ``void *``. * \param idx neighbor list index Loading @@ -2915,7 +2915,7 @@ int lammps_neighlist_num_elements(void * handle, int idx) { /* ---------------------------------------------------------------------- */ /** \brief Return atom local index, number of neighbors, and array of neighbor local /** Return atom local index, number of neighbors, and array of neighbor local * atom indices of neighbor list entry * * \param handle pointer to a previously created LAMMPS instance cast to ``void *``. Loading Loading @@ -3025,7 +3025,7 @@ void lammps_decode_image_flags(imageint image, int *flags) // Library functions for error handling with exceptions enabled // ---------------------------------------------------------------------- /** \brief Check if there is a (new) error message available /** Check if there is a (new) error message available \verbatim embed:rst This function can be used to query if an error inside of LAMMPS Loading Loading @@ -3055,7 +3055,7 @@ int lammps_has_error(void *handle) { /* ---------------------------------------------------------------------- */ /** \brief Copy the last error message into the provided buffer /** Copy the last error message into the provided buffer \verbatim embed:rst This function can be used to retrieve the error message that was set Loading Loading
src/library.cpp +19 −19 Original line number Diff line number Diff line Loading @@ -425,7 +425,7 @@ void lammps_commands_list(void *handle, int ncmd, const char **cmds) /* ---------------------------------------------------------------------- */ /** \brief Process a block of LAMMPS input commands from a single string. /** Process a block of LAMMPS input commands from a single string. * \verbatim embed:rst Loading Loading @@ -2531,7 +2531,7 @@ void lammps_fix_external_set_virial_global(void *handle, char *id, // Library functions for accessing LAMMPS configuration // ---------------------------------------------------------------------- /** \brief Check if a specific package has been included in LAMMPS /** Check if a specific package has been included in LAMMPS * \verbatim embed:rst This function checks if the LAMMPS library in use includes the Loading @@ -2547,7 +2547,7 @@ int lammps_config_has_package(char * name) { /* ---------------------------------------------------------------------- */ /** \brief Count the number of installed packages in the LAMMPS library. /** Count the number of installed packages in the LAMMPS library. * \verbatim embed:rst This function counts how many :doc:`LAMMPS packages <Packages>` are Loading @@ -2566,7 +2566,7 @@ int lammps_config_package_count() { /* ---------------------------------------------------------------------- */ /** \brief Get the name of a package in the list of installed packages in the LAMMPS library. /** Get the name of a package in the list of installed packages in the LAMMPS library. * \verbatim embed:rst This function copies the name of the package with the index *idx* into the Loading Loading @@ -2594,7 +2594,7 @@ int lammps_config_package_name(int idx, char * buffer, int buf_size) { /* ---------------------------------------------------------------------- */ /** \brief Check if a specific style has been included in LAMMPS /** Check if a specific style has been included in LAMMPS * \verbatim embed:rst This function checks if the LAMMPS library in use includes the Loading @@ -2617,7 +2617,7 @@ int lammps_has_style(void * handle, char * category, char * name) { /* ---------------------------------------------------------------------- */ /** \brief Count the number of styles of category in the LAMMPS library. /** Count the number of styles of category in the LAMMPS library. * \verbatim embed:rst This function counts how many styles in the provided *category* Loading @@ -2638,7 +2638,7 @@ int lammps_style_count(void * handle, char * category) { /* ---------------------------------------------------------------------- */ /** \brief Look up the name of a style by index in the list of style of a given category in the LAMMPS library. /** Look up the name of a style by index in the list of style of a given category in the LAMMPS library. * \verbatim embed:rst This function copies the name of the package with the index *idx* into the Loading Loading @@ -2688,7 +2688,7 @@ int lammps_config_has_mpi_support() /* ---------------------------------------------------------------------- */ /** \brief Check if the LAMMPS library supports compressed files via a pipe to gzip /** Check if the LAMMPS library supports compressed files via a pipe to gzip \verbatim embed:rst Several LAMMPS commands (e.g. :doc:`read_data`, :doc:`write_data`, Loading @@ -2707,7 +2707,7 @@ int lammps_config_has_gzip_support() { /* ---------------------------------------------------------------------- */ /** \brief Check if the LAMMPS library supports writing PNG format images /** Check if the LAMMPS library supports writing PNG format images \verbatim embed:rst The LAMMPS :doc:`dump style image <dump_image>` supports writing multiple Loading @@ -2726,7 +2726,7 @@ int lammps_config_has_png_support() { /* ---------------------------------------------------------------------- */ /** \brief Check if the LAMMPS library supports writing JPEG format images /** Check if the LAMMPS library supports writing JPEG format images \verbatim embed:rst The LAMMPS :doc:`dump style image <dump_image>` supports writing multiple Loading @@ -2744,7 +2744,7 @@ int lammps_config_has_jpeg_support() { /* ---------------------------------------------------------------------- */ /** \brief Check if the LAMMPS library supports creating movie files via a pipe to ffmpeg /** Check if the LAMMPS library supports creating movie files via a pipe to ffmpeg \verbatim embed:rst The LAMMPS :doc:`dump style movie <dump_image>` supports generating movies Loading @@ -2762,7 +2762,7 @@ int lammps_config_has_ffmpeg_support() { /* ---------------------------------------------------------------------- */ /** \brief Check whether LAMMPS errors will throw a C++ exception /** Check whether LAMMPS errors will throw a C++ exception * \verbatim embed:rst In case of errors LAMMPS will either abort or throw a C++ exception. Loading @@ -2779,7 +2779,7 @@ int lammps_config_has_exceptions() { // Library functions for accessing neighbor lists // ---------------------------------------------------------------------- /** \brief Find neighbor list index of pair style neighbor list /** Find neighbor list index of pair style neighbor list * * Try finding pair instance that matches style. If exact is set, the pair must * match style exactly. If exact is 0, style must only be contained. If pair is Loading Loading @@ -2820,7 +2820,7 @@ int lammps_find_pair_neighlist(void* handle, char * style, int exact, int nsub, /* ---------------------------------------------------------------------- */ /** \brief Find neighbor list index of fix neighbor list /** Find neighbor list index of fix neighbor list * * \param handle pointer to a previously created LAMMPS instance cast to ``void *``. * \param id Identifier of fix instance Loading Loading @@ -2857,7 +2857,7 @@ int lammps_find_fix_neighlist(void* handle, char * id, int request) { /* ---------------------------------------------------------------------- */ /** \brief Find neighbor list index of compute neighbor list /** Find neighbor list index of compute neighbor list * * \param handle pointer to a previously created LAMMPS instance cast to ``void *``. * \param id Identifier of fix instance Loading Loading @@ -2894,7 +2894,7 @@ int lammps_find_compute_neighlist(void* handle, char * id, int request) { /* ---------------------------------------------------------------------- */ /** \brief Return the number of entries in the neighbor list with given index /** Return the number of entries in the neighbor list with given index * * \param handle pointer to a previously created LAMMPS instance cast to ``void *``. * \param idx neighbor list index Loading @@ -2915,7 +2915,7 @@ int lammps_neighlist_num_elements(void * handle, int idx) { /* ---------------------------------------------------------------------- */ /** \brief Return atom local index, number of neighbors, and array of neighbor local /** Return atom local index, number of neighbors, and array of neighbor local * atom indices of neighbor list entry * * \param handle pointer to a previously created LAMMPS instance cast to ``void *``. Loading Loading @@ -3025,7 +3025,7 @@ void lammps_decode_image_flags(imageint image, int *flags) // Library functions for error handling with exceptions enabled // ---------------------------------------------------------------------- /** \brief Check if there is a (new) error message available /** Check if there is a (new) error message available \verbatim embed:rst This function can be used to query if an error inside of LAMMPS Loading Loading @@ -3055,7 +3055,7 @@ int lammps_has_error(void *handle) { /* ---------------------------------------------------------------------- */ /** \brief Copy the last error message into the provided buffer /** Copy the last error message into the provided buffer \verbatim embed:rst This function can be used to retrieve the error message that was set Loading
