gint : move all relevant code to separate directory

module_gint

Author: wenfei-li

CMakeLists.txt

@@ -298,6 +298,7 @@ target_link_libraries(${ABACUS_BIN_NAME}
     io
     ions
     lcao
+    gint
     parallel
     mrrr
     pdiag

source/CMakeLists.txt

@@ -13,6 +13,7 @@ add_subdirectory(module_surchem)
 add_subdirectory(module_deepks)
 add_subdirectory(module_xc)
 add_subdirectory(module_esolver)
+add_subdirectory(module_gint)
 add_subdirectory(src_io)
 add_subdirectory(src_ions)
 add_subdirectory(src_lcao)

source/module_elecstate/elecstate_lcao.cpp

@@ -2,7 +2,7 @@
 
 #include "math_tools.h"
 #include "module_base/timer.h"
-#include "src_lcao/grid_technique.h"
+#include "module_gint/grid_technique.h"
 
 namespace elecstate
 {

source/module_elecstate/test/CMakeLists.txt

@@ -19,14 +19,14 @@ AddTest(
             ../../src_parallel/parallel_global.cpp ../../src_parallel/parallel_common.cpp ../../src_parallel/parallel_reduce.cpp 
             ../../src_lcao/local_orbital_charge.cpp ../../src_lcao/DM_gamma.cpp ../../src_lcao/DM_k.cpp 
             ../../src_lcao/local_orbital_wfc.cpp 
-            ../../src_lcao/grid_technique.cpp ../../src_lcao/grid_meshball.cpp ../../src_lcao/grid_bigcell.cpp 
-            ../../src_lcao/grid_meshcell.cpp ../../src_lcao/grid_meshk.cpp
-            ../../src_lcao/gint_tools.cpp
+            ../../module_gint/grid_technique.cpp ../../module_gint/grid_meshball.cpp ../../module_gint/grid_bigcell.cpp 
+            ../../module_gint/grid_meshcell.cpp ../../module_gint/grid_meshk.cpp
+            ../../module_gint/gint_tools.cpp
             ../../src_lcao/dm_2d.cpp
             ../../src_lcao/record_adj.cpp  ../../src_lcao/LCAO_nnr.cpp
-            ../../src_lcao/gint.cpp ../../src_lcao/gint_gamma.cpp
-            ../../src_lcao/gint_fvl.cpp ../../src_lcao/gint_rho.cpp
-            ../../src_lcao/gint_vl.cpp
+            ../../module_gint/gint.cpp ../../module_gint/gint_gamma.cpp
+            ../../module_gint/gint_fvl.cpp ../../module_gint/gint_rho.cpp
+            ../../module_gint/gint_vl.cpp
             ../../src_pw/charge.cpp 
             ../../src_pdiag/pdiag_common.cpp
             ../../src_io/output.cpp ../../src_pw/soc.cpp

source/module_gint/CMakeLists.txt

@@ -0,0 +1,25 @@
+list(APPEND objects
+    gint.cpp
+    gint_gamma.cpp
+    gint_gamma_env.cpp
+    gint_gamma_mull.cpp
+    gint_gamma_vl.cpp
+    gint_fvl.cpp
+    gint_rho.cpp
+    gint_vl.cpp
+    gint_k_env.cpp
+    gint_k_sparse.cpp
+    gint_k_pvpr.cpp
+    gint_tools.cpp
+    grid_bigcell.cpp
+    grid_meshball.cpp
+    grid_meshcell.cpp
+    grid_meshk.cpp
+    grid_technique.cpp
+)
+
+add_library(
+    gint
+    OBJECT
+    ${objects}
+)

source/src_lcao/gint.cpp renamed to source/module_gint/gint.cpp

@@ -1,6 +1,6 @@
 #include "gint_k.h"
 #include "../src_pw/global.h"
-#include "global_fp.h" // mohan add 2021-01-30
+#include "../src_lcao/global_fp.h" // mohan add 2021-01-30
 
 #include "../module_base/ylm.h"
 #include "../module_base/timer.h"

source/src_lcao/gint.h renamed to source/module_gint/gint.h

@@ -9,7 +9,7 @@
 #include "../module_base/global_function.h"
 #include "../module_base/global_variable.h"
 #include "grid_technique.h"
-#include "LCAO_matrix.h"
+#include "../src_lcao/LCAO_matrix.h"
 #include <omp.h>
 
 //=========================================================