fix: wrong when use absolute path in STRU (deepmodeling#4881)

maki49 · Aug 6, 2024 · 9f55e3a · 9f55e3a
1 parent d2d5c56
commit 9f55e3a
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Showing 2 changed files with 46 additions and 6 deletions.
diff --git a/source/module_io/read_input_item_system.cpp b/source/module_io/read_input_item_system.cpp
@@ -605,18 +605,58 @@ void ReadInput::item_system()
         Input_Item item("pseudo_dir");
         item.annotation = "the directory containing pseudo files";
         item.read_value = [](const Input_Item& item, Parameter& para) {
-            para.input.pseudo_dir = to_dir(strvalue);
+            para.input.pseudo_dir = strvalue;
         };
-        sync_string(input.pseudo_dir);
+        item.reset_value = [](const Input_Item& item, Parameter& para) {
+            if(para.input.pseudo_dir == "auto")
+            {
+                para.input.pseudo_dir = "";
+            }
+            else
+            {
+                para.input.pseudo_dir = to_dir(para.input.pseudo_dir);
+            }
+        };
+        item.get_final_value = [](Input_Item& item, const Parameter& para) {
+            if (para.input.pseudo_dir == "")
+            {
+                item.final_value << "auto";
+            }
+            else
+            {
+                item.final_value << para.input.pseudo_dir;
+            }
+        };
+        add_string_bcast(input.pseudo_dir);
         this->add_item(item);
     }
     {
         Input_Item item("orbital_dir");
         item.annotation = "the directory containing orbital files";
         item.read_value = [](const Input_Item& item, Parameter& para) {
-            para.input.orbital_dir = to_dir(strvalue);
+            para.input.orbital_dir = strvalue;
+        };
+        item.reset_value = [](const Input_Item& item, Parameter& para) {
+            if(para.input.orbital_dir == "auto")
+            {
+                para.input.orbital_dir = "";
+            }
+            else
+            {
+                para.input.orbital_dir = to_dir(para.input.orbital_dir);
+            }
+        };
+        item.get_final_value = [](Input_Item& item, const Parameter& para) {
+            if (para.input.orbital_dir == "")
+            {
+                item.final_value << "auto";
+            }
+            else
+            {
+                item.final_value << para.input.orbital_dir;
+            }
         };
-        sync_string(input.orbital_dir);
+        add_string_bcast(input.orbital_dir);
         this->add_item(item);
     }
     {

diff --git a/source/module_parameter/input_parameter.h b/source/module_parameter/input_parameter.h
@@ -56,8 +56,8 @@ struct Input_para
     std::string stru_file = "STRU";     ///< file contains atomic positions --
                                         ///< xiaohui modify 2015-02-01
     std::string kpoint_file = "KPT";    ///< file contains k-points -- xiaohui modify 2015-02-01
-    std::string pseudo_dir = "./";      ///< directory of pseudopotential
-    std::string orbital_dir = "./";     ///< directory of orbital file
+    std::string pseudo_dir = "auto";      ///< directory of pseudopotential
+    std::string orbital_dir = "auto";     ///< directory of orbital file
     std::string read_file_dir = "auto"; ///< directory of files for reading
     bool restart_load = false;
     std::string wannier_card = "none";              ///< input card for wannier functions.