diff --git a/doc/Doxyfile b/doc/Doxyfile index c7af10d41a..a554710377 100644 --- a/doc/Doxyfile +++ b/doc/Doxyfile @@ -865,7 +865,7 @@ WARN_LOGFILE = # spaces. See also FILE_PATTERNS and EXTENSION_MAPPING # Note: If this tag is empty the current directory is searched. -INPUT = ../source/api_cc/include/ +INPUT = ../source/api_cc/include/ ../source/lib/include/neighbor_list.h # This tag can be used to specify the character encoding of the source files # that doxygen parses. Internally doxygen uses the UTF-8 encoding. Doxygen uses diff --git a/source/api_cc/include/DeepPot.h b/source/api_cc/include/DeepPot.h index d0c9099210..6057cf4ab7 100644 --- a/source/api_cc/include/DeepPot.h +++ b/source/api_cc/include/DeepPot.h @@ -128,7 +128,7 @@ class DeepPot * @param[in] atype The atom types. The list should contain natoms ints. * @param[in] box The cell of the region. The array should be of size nframes x 9. * @param[in] nghost The number of ghost atoms. - * @param[in] inlist The input neighbour list. + * @param[in] lmp_list The input neighbour list. * @param[in] ago Update the internal neighbour list if ago is 0. * @param[in] fparam The frame parameter. The array can be of size : * nframes x dim_fparam. diff --git a/source/api_cc/include/common.h b/source/api_cc/include/common.h index 7c769c4b1e..6d24f9d5c3 100644 --- a/source/api_cc/include/common.h +++ b/source/api_cc/include/common.h @@ -32,9 +32,13 @@ typedef double ENERGYTYPE; struct NeighborListData { + /// Array stores the core region atom's index std::vector ilist; + /// Array stores the core region atom's neighbor index std::vector > jlist; + /// Array stores the number of neighbors of core region atoms std::vector numneigh; + /// Array stores the the location of the first neighbor of core region atoms std::vector firstneigh; public: void copy_from_nlist(const InputNlist & inlist); @@ -44,6 +48,9 @@ struct NeighborListData void make_inlist(InputNlist & inlist); }; +/** @struct deepmd::InputNlist + **/ + /** * @brief Check if the model version is supported. * @param[in] model_version The model version.