diff --git a/src/atom.cpp b/src/atom.cpp index 21e6c87c7b..0322a55a96 100644 --- a/src/atom.cpp +++ b/src/atom.cpp @@ -2502,6 +2502,9 @@ length of the data area, and a short description. - 1 - 1 if the particle is a body particle, 0 if not +*See also* + :cpp:func:`lammps_extract_atom` + \endverbatim * * \param name string with the keyword of the desired property. diff --git a/src/library.cpp b/src/library.cpp index 9a624fbef2..32c8728883 100644 --- a/src/library.cpp +++ b/src/library.cpp @@ -142,6 +142,9 @@ fails a null pointer is returned. ``#include "library.h"``. In that case, you must use the :cpp:func:`lammps_open_no_mpi` function. +*See also* + :cpp:func:`lammps_open_no_mpi`, :cpp:func:`lammps_open_fortran` + \endverbatim * * \param argc number of command line arguments @@ -206,6 +209,9 @@ fails a null pointer is returned. It should be set to ``NULL`` instead. +*See also* + :cpp:func:`lammps_open`, :cpp:func:`lammps_open_fortran` + \endverbatim * * \param argc number of command line arguments @@ -237,6 +243,9 @@ fails a null pointer is returned. .. versionadded:: 18Sep2020 +*See also* + :cpp:func:`lammps_open_fortran`, :cpp:func:`lammps_open_no_mpi` + \endverbatim * * \param argc number of command line arguments @@ -602,8 +611,10 @@ If LAMMPS was compiled with MPI_STUBS, this function returns -1. .. versionadded:: 18Sep2020 +*See also* + :cpp:func:`lammps_open_fortran` + \endverbatim - * \sa lammps_open_fortran * * \param handle pointer to a previously created LAMMPS instance * \return Fortran representation of the LAMMPS world communicator */ @@ -638,6 +649,13 @@ size and dereference it. The size of that integer (in bytes) can be queried by calling :cpp:func:`lammps_extract_setting` to return the size of a ``bigint`` integer. +.. versionchanged:: 18Sep2020 + + The type of the return value was changed from ``int`` to ``double`` + to accommodate reporting atom counts for larger systems that would + overflow a 32-bit int without having to depend on a 64-bit bit + integer type definition. + \endverbatim * * \param handle pointer to a previously created LAMMPS instance @@ -661,7 +679,7 @@ double lammps_get_natoms(void *handle) This function returns the current value of a :doc:`thermo keyword `. Unlike :cpp:func:`lammps_extract_global` it does not give access to the storage of the desired data but returns its value as -a double, so it can also return information that is computed on-the-fly. +a ``double``, so it can also return information that is computed on-the-fly. \endverbatim * @@ -810,7 +828,7 @@ void lammps_reset_box(void *handle, double *boxlo, double *boxhi, This function will retrieve or compute global properties. In contrast to :cpp:func:`lammps_get_thermo` this function returns an ``int``. The following keywords are currently supported. If a keyword is not -recognized, the function returns -1. Please also see :cpp:func:`lammps_extract_global`. +recognized, the function returns -1. .. list-table:: :header-rows: 1 @@ -854,6 +872,9 @@ recognized, the function returns -1. Please also see :cpp:func:`lammps_extract_ * - rmass_flag - 1 if the atom style includes per-atom masses, 0 if there are per-type masses. See :doc:`atom_style`. +*See also* + :cpp:func:`lammps_extract_global` + \endverbatim * * \param handle pointer to a previously created LAMMPS instance diff --git a/src/potential_file_reader.cpp b/src/potential_file_reader.cpp index a71d7944d6..639345ed25 100644 --- a/src/potential_file_reader.cpp +++ b/src/potential_file_reader.cpp @@ -30,13 +30,17 @@ using namespace LAMMPS_NS; * The value of the class member variable *ignore_comments* controls * whether any text following the pound sign (#) should be ignored (true) * or not (false). Default: true, i.e. ignore. +\verbatim embed:rst + +*See also* + :cpp:class:`TextFileReader` + +\endverbatim * * \param lmp Pointer to LAMMPS instance * \param filename Name of file to be read * \param potential_name Name of potential style for error messages - * \param auto_convert Bitmask of supported unit conversions - * - * \sa TextFileReader */ + * \param auto_convert Bitmask of supported unit conversions */ PotentialFileReader::PotentialFileReader(LAMMPS *lmp, const std::string &filename, @@ -213,9 +217,15 @@ std::string PotentialFileReader::next_string() { /** Look up and open the potential file * +\verbatim embed:rst + +*See also* + :cpp:func:`utils::open_potential`, + :cpp:class:`TextFileReader` + +\endverbatim * \param path Path of the potential file to open - * \return Pointer to TextFileReader object created - * \sa TextFileReader */ + * \return Pointer to TextFileReader object created */ TextFileReader *PotentialFileReader::open_potential(const std::string &path) { std::string filepath = utils::get_potential_file_path(path); diff --git a/src/text_file_reader.cpp b/src/text_file_reader.cpp index 3c63bba5fb..cd56cbb7ad 100644 --- a/src/text_file_reader.cpp +++ b/src/text_file_reader.cpp @@ -30,11 +30,15 @@ using namespace LAMMPS_NS; * The value of the class member variable *ignore_comments* controls * whether any text following the pound sign (#) should be ignored (true) * or not (false). Default: true, i.e. ignore. +\verbatim embed:rst + +*See also* + :cpp:class:`TextFileReader` + +\endverbatim * * \param filename Name of file to be read - * \param filetype Description of file type for error messages - * - * \sa PotentialFileReader */ + * \param filetype Description of file type for error messages */ TextFileReader::TextFileReader(const std::string &filename, const std::string &filetype) : filename(filename), filetype(filetype), ignore_comments(true) diff --git a/src/tokenizer.cpp b/src/tokenizer.cpp index 3b172181a2..3b21f912fa 100644 --- a/src/tokenizer.cpp +++ b/src/tokenizer.cpp @@ -37,10 +37,15 @@ TokenizerException::TokenizerException(const std::string & msg, const std::strin * This tokenizer will break down a string into sub-strings (i.e words) * separated by the given separator characters. * - * \param str string to be processed - * \param separators string with separator characters (default: " \t\r\n\f") +\verbatim embed:rst + +*See also* + :cpp:class:`ValueTokenizer`, :cpp:func:`utils::split_words` + +\endverbatim * - * \sa ValueTokenizer TokenizerException */ + * \param str string to be processed + * \param separators string with separator characters (default: " \t\r\n\f") */ Tokenizer::Tokenizer(const std::string & str, const std::string & separators) : text(str), separators(separators), start(0), ntokens(std::string::npos) @@ -152,10 +157,17 @@ std::vector Tokenizer::as_vector() { /*! Class for reading text with numbers * +\verbatim embed:rst + +*See also* + :cpp:class:`Tokenizer` + +\endverbatim + * * \param str String to be processed * \param separators String with separator characters (default: " \t\r\n\f") * - * \sa Tokenizer InvalidIntegerException InvalidFloatException */ + * \see Tokenizer InvalidIntegerException InvalidFloatException */ ValueTokenizer::ValueTokenizer(const std::string & str, const std::string & separators) : tokens(str, separators) { } diff --git a/src/utils.h b/src/utils.h index 840ddf549b..7515f1f21b 100644 --- a/src/utils.h +++ b/src/utils.h @@ -247,6 +247,13 @@ namespace LAMMPS_NS { * command lines and similar text and not for time critical processing. * Use a tokenizer class for that. * +\verbatim embed:rst + +*See also* + :cpp:class:`Tokenizer`, :cpp:class:`ValueTokenizer` + +\endverbatim + * * \param text string that should be split * \return STL vector with the words */