update module_xc/test/CMakeLists.txt

Author: PeizeLin

source/module_hamilt_general/module_xc/test/CMakeLists.txt

@@ -2,21 +2,21 @@ remove_definitions(-DUSE_PAW)
 
 AddTest(
   TARGET XCTest_PBE
-  LIBS parameter MPI::MPI_CXX Libxc::xc  # required by global.h; for details, `remove_definitions(-D__MPI)`.
+  LIBS parameter MPI::MPI_CXX Libxc::xc base # required by global.h; for details, `remove_definitions(-D__MPI)`.
   SOURCES test_xc.cpp ../xc_functional.cpp ../xc_functional_wrapper_xc.cpp ../xc_functional_wrapper_gcxc.cpp ../xc_funct_corr_gga.cpp ../xc_funct_corr_lda.cpp ../xc_funct_exch_gga.cpp ../xc_funct_exch_lda.cpp ../xc_funct_hcth.cpp
   ../xc_functional_libxc_wrapper_gcxc.cpp ../xc_functional_libxc.cpp
 )
 
 AddTest(
   TARGET XCTest_HSE
-  LIBS parameter MPI::MPI_CXX Libxc::xc  # required by global.h; for details, `remove_definitions(-D__MPI)`.
+  LIBS parameter MPI::MPI_CXX Libxc::xc base # required by global.h; for details, `remove_definitions(-D__MPI)`.
   SOURCES test_xc1.cpp ../xc_functional.cpp ../xc_functional_libxc.cpp
 )
 
 
 AddTest(
   TARGET XCTest_PZ_SPN
-  LIBS parameter MPI::MPI_CXX Libxc::xc  # required by global.h; for details, `remove_definitions(-D__MPI)`.
+  LIBS parameter MPI::MPI_CXX Libxc::xc base # required by global.h; for details, `remove_definitions(-D__MPI)`.
   SOURCES test_xc2.cpp ../xc_functional.cpp ../xc_functional_wrapper_xc.cpp ../xc_functional_wrapper_gcxc.cpp ../xc_funct_corr_gga.cpp ../xc_funct_corr_lda.cpp ../xc_funct_exch_gga.cpp ../xc_funct_exch_lda.cpp ../xc_funct_hcth.cpp
   ../xc_functional_libxc_wrapper_gcxc.cpp ../xc_functional_libxc_wrapper_xc.cpp ../xc_functional_libxc.cpp
 )
@@ -29,7 +29,7 @@ list(APPEND FFT_SRC ../../../module_basis/module_pw/module_fft/fft_rocm.cpp)
 endif()
 AddTest(
   TARGET XCTest_GRADCORR
-  LIBS parameter MPI::MPI_CXX Libxc::xc ${math_libs} psi device container 
+  LIBS parameter MPI::MPI_CXX Libxc::xc base ${math_libs} psi device container
   SOURCES test_xc3.cpp ../xc_functional_gradcorr.cpp ../xc_functional.cpp
     ../xc_functional_wrapper_xc.cpp ../xc_functional_wrapper_gcxc.cpp
     ../xc_functional_libxc.cpp
@@ -50,20 +50,20 @@ AddTest(
 
 AddTest(
   TARGET XCTest_SCAN
-  LIBS parameter MPI::MPI_CXX Libxc::xc 
+  LIBS parameter MPI::MPI_CXX Libxc::xc base
   SOURCES test_xc4.cpp ../xc_functional.cpp ../xc_functional_wrapper_xc.cpp
     ../xc_functional_wrapper_gcxc.cpp
     ../xc_functional_libxc.cpp
     ../xc_functional_libxc_wrapper_xc.cpp
     ../xc_functional_libxc_wrapper_gcxc.cpp
     ../xc_functional_libxc_wrapper_tauxc.cpp
-    ../xc_funct_corr_gga.cpp ../xc_funct_corr_lda.cpp 
-    ../xc_funct_exch_gga.cpp ../xc_funct_exch_lda.cpp ../xc_funct_hcth.cpp 
+    ../xc_funct_corr_gga.cpp ../xc_funct_corr_lda.cpp
+    ../xc_funct_exch_gga.cpp ../xc_funct_exch_lda.cpp ../xc_funct_hcth.cpp
 )
 
 AddTest(
   TARGET XCTest_VXC
-  LIBS parameter MPI::MPI_CXX Libxc::xc ${math_libs} psi device container 
+  LIBS parameter MPI::MPI_CXX Libxc::xc base ${math_libs} psi device container
   SOURCES test_xc5.cpp ../xc_functional_gradcorr.cpp ../xc_functional.cpp
     ../xc_functional_wrapper_xc.cpp ../xc_functional_wrapper_gcxc.cpp
     ../xc_functional_libxc.cpp

source/module_hamilt_general/module_xc/xc_functional.cpp

@@ -2,6 +2,8 @@
 #include "module_hamilt_pw/hamilt_pwdft/global.h"
 #include "module_parameter/parameter.h"
 #include "module_base/global_function.h"
+#include "module_base/tool_title.h"
+
 #ifdef USE_PAW
 #include "module_cell/module_paw/paw_cell.h"
 #endif