add InputNlist into API doc (#1009)

* add `InputNlist` into API doc This struct is necessary for C++ APIs. * Apply suggestions from code review Co-authored-by: Denghui Lu <[email protected]> * update comment for `firstneigh` Co-authored-by: Denghui Lu <[email protected]>
deepmodeling · Aug 23, 2021 · 29546c1 · 29546c1
1 parent 297ce70
commit 29546c1
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Showing 3 changed files with 9 additions and 2 deletions.
diff --git 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
@@ -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
@@ -32,9 +32,13 @@ typedef double ENERGYTYPE;
 
 struct NeighborListData 
 {
+  /// Array stores the core region atom's index
   std::vector<int > ilist;
+  /// Array stores the core region atom's neighbor index
   std::vector<std::vector<int> > jlist;
+  /// Array stores the number of neighbors of core region atoms
   std::vector<int > numneigh;
+  /// Array stores the the location of the first neighbor of core region atoms
   std::vector<int* > 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.