rename the files

Author: maki49

source/Makefile.Objects

@@ -69,7 +69,7 @@ VPATH=./src_global:\
 ./module_ri:\
 ./module_parameter:\
 ./module_lr:\
-./module_lr/AX:\
+./module_lr/ao_to_mo_transformer:\
 ./module_lr/dm_trans:\
 ./module_lr/operator_casida:\
 ./module_lr/potentials:\
@@ -723,8 +723,8 @@ OBJS_TENSOR=tensor.o\
 
     OBJS_LR=lr_util.o\
     lr_util_hcontainer.o\
-    AX_parallel.o\
-    AX_serial.o\
+    ao_to_mo_parallel.o\
+    ao_to_mo_serial.o\
     dm_trans_parallel.o\
     dm_trans_serial.o\
     dmr_complex.o\

source/module_lr/AX/test/CMakeLists.txt

@@ -1,14 +1,14 @@
 if(ENABLE_LCAO)
   add_subdirectory(utils)
-  add_subdirectory(AX)
+  add_subdirectory(ao_to_mo_transformer)
   add_subdirectory(dm_trans)
   add_subdirectory(ri_benchmark)
 
   list(APPEND objects
     utils/lr_util.cpp
     utils/lr_util_hcontainer.cpp
-    AX/AX_parallel.cpp
-    AX/AX_serial.cpp
+    ao_to_mo_transformer/ao_to_mo_parallel.cpp
+    ao_to_mo_transformer/ao_to_mo_serial.cpp
     dm_trans/dm_trans_parallel.cpp
     dm_trans/dm_trans_serial.cpp
     dm_trans/dmr_complex.cpp

source/module_lr/CMakeLists.txt

@@ -1,5 +1,5 @@
 #ifdef __MPI
-#include "AX.h"
+#include "ao_to_mo.h"
 #include "module_base/scalapack_connector.h"
 #include "module_base/tool_title.h"
 #include "module_lr/utils/lr_util.h"

source/module_lr/AX/CMakeLists.txt renamed to source/module_lr/ao_to_mo_transformer/CMakeLists.txt

@@ -1,4 +1,4 @@
-#include "AX.h"
+#include "ao_to_mo.h"
 #include "module_base/blas_connector.h"
 #include "module_base/tool_title.h"
 #include "module_lr/utils/lr_util.h"

source/module_lr/AX/AX.h renamed to source/module_lr/ao_to_mo_transformer/ao_to_mo.h

@@ -0,0 +1,6 @@
+remove_definitions(-DUSE_LIBXC)
+AddTest(
+  TARGET ao_to_mo_test
+  LIBS parameter base ${math_libs} container device psi 
+  SOURCES ao_to_mo_test.cpp ../../utils/lr_util.cpp ../ao_to_mo_parallel.cpp ../ao_to_mo_serial.cpp
+)

source/module_lr/AX/AX_parallel.cpp renamed to source/module_lr/ao_to_mo_transformer/ao_to_mo_parallel.cpp

@@ -2,7 +2,7 @@
 #ifdef __MPI
 #include "mpi.h"
 #endif
-#include "../AX.h"
+#include "../ao_to_mo.h"
 
 #include "module_lr/utils/lr_util.h"
 
@@ -20,7 +20,7 @@ struct matsize
     };
 };
 
-class AXTest : public testing::Test
+class AO2MOTest : public testing::Test
 {
 public:
     std::vector<matsize> sizes{
@@ -60,7 +60,7 @@ class AXTest : public testing::Test
     };
 };
 
-TEST_F(AXTest, DoubleSerial)
+TEST_F(AO2MOTest, DoubleSerial)
 {
     for (auto s : this->sizes)
     {
@@ -92,7 +92,7 @@ TEST_F(AXTest, DoubleSerial)
     }
 }
 
-TEST_F(AXTest, ComplexSerial)
+TEST_F(AO2MOTest, ComplexSerial)
 {
     for (auto s : this->sizes)
     {
@@ -124,7 +124,7 @@ TEST_F(AXTest, ComplexSerial)
     }
 }
 #ifdef __MPI
-TEST_F(AXTest, DoubleParallel)
+TEST_F(AO2MOTest, DoubleParallel)
 {
     for (auto s : this->sizes)
     {
@@ -135,7 +135,7 @@ TEST_F(AXTest, DoubleParallel)
         std::vector<container::Tensor> V(s.nks, container::Tensor(DAT::DT_DOUBLE, DEV::CpuDevice, { pV.get_col_size(), pV.get_row_size() }));
         Parallel_2D pc;
         LR_Util::setup_2d_division(pc, s.nb, s.naos, s.nocc + s.nvirt, pV.blacs_ctxt);
-        
+
         std::vector<int> ngk_temp(s.nks, pc.get_row_size());
         psi::Psi<double> c(s.nks, pc.get_col_size(), pc.get_row_size(), ngk_temp.data(), true);
         Parallel_2D pvo, poo, pvv;
@@ -195,7 +195,7 @@ TEST_F(AXTest, DoubleParallel)
         }
     }
 }
-TEST_F(AXTest, ComplexParallel)
+TEST_F(AO2MOTest, ComplexParallel)
 {
     for (auto s : this->sizes)
     {

source/module_lr/AX/AX_serial.cpp renamed to source/module_lr/ao_to_mo_transformer/ao_to_mo_serial.cpp

@@ -8,7 +8,7 @@
 #include "module_lr/utils/lr_util_print.h"
 // #include "module_hamilt_lcao/hamilt_lcaodft/DM_gamma_2d_to_grid.h"
 #include "module_hamilt_lcao/module_hcontainer/hcontainer_funcs.h"
-#include "module_lr/AX/AX.h"
+#include "module_lr/ao_to_mo_transformer/ao_to_mo.h"
 #include "module_hamilt_pw/hamilt_pwdft/global.h"
 
 inline double conj(double a) { return a; }