Fix: fix the compilation failure with new DFTD3 parameter autoset

deepmodeling · Nov 18, 2024 · b350111 · b350111
1 parent b0ddd17
commit b350111
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Showing 10 changed files with 1,230 additions and 1,321 deletions.
diff --git a/source/Makefile.Objects b/source/Makefile.Objects
@@ -685,7 +685,9 @@ OBJS_VDW=vdw.o\
     vdwd3_parameters.o\
     vdwd2.o\
     vdwd3.o\
-    vdwd3_parameters_tab.o
+    vdwd3_parameters_tab.o\
+    vdwd3_autoset_xcname.o\
+    vdwd3_autoset_xcparam.o
 
 OBJS_DFTU=dftu.o\
       dftu_force.o\

diff --git a/source/module_hamilt_general/module_vdw/CMakeLists.txt b/source/module_hamilt_general/module_vdw/CMakeLists.txt
@@ -6,6 +6,8 @@ add_library(
         vdwd3_parameters.cpp
         vdwd2.cpp
         vdwd3.cpp
+        vdwd3_autoset_xcname.cpp
+        vdwd3_autoset_xcparam.cpp
         vdw.cpp
 )
 

diff --git a/source/module_hamilt_general/module_vdw/dftd3_xc_name.h b/source/module_hamilt_general/module_vdw/dftd3_xc_name.h
diff --git a/source/module_hamilt_general/module_vdw/dftd3_xc_param.h b/source/module_hamilt_general/module_vdw/dftd3_xc_param.h
diff --git a/source/module_hamilt_general/module_vdw/test/CMakeLists.txt b/source/module_hamilt_general/module_vdw/test/CMakeLists.txt
@@ -10,9 +10,3 @@ AddTest(
   LIBS parameter ${math_libs} base device vdw 
   SOURCES vdw_test.cpp 
 )
-
-AddTest(
-  TARGET dftd3_xc
-  LIBS parameter ${math_libs} base device
-  SOURCES dftd3_xc_test.cpp
-)
diff --git a/source/module_hamilt_general/module_vdw/test/dftd3_xc_test.cpp b/source/module_hamilt_general/module_vdw/test/dftd3_xc_test.cpp