Refactor the test directories of 02_NAO_Gamma and 03_NAO_multik, and several related output formats

source/Makefile.Objects

@@ -590,6 +590,7 @@ OBJS_IO=module_parameter/input_conv.o\
     orb_io.o\
     cal_pLpR.o\
     filename.o\
+    ucell_io.o\
 
 OBJS_IO_LCAO=cal_r_overlap_R.o\
       write_orb_info.o\

source/source_cell/read_atom_species.cpp

@@ -162,7 +162,7 @@ bool read_lattice_constant(std::ifstream& ifa,
     // Read in latticies vector
     //===========================
 
-    if(latName=="none")
+    if(latName=="user_defined_lattice")
     {
         // check the existence of keyword "LATTICE_PARAMETERS"
         if (ModuleBase::GlobalFunc::SCAN_LINE_BEGIN(ifa,

source/source_cell/test/unitcell_test.cpp

@@ -172,7 +172,7 @@ using UcellDeathTest = UcellTest;
 TEST_F(UcellTest, Constructor)
 {
     EXPECT_EQ(ucell->Coordinate, "Direct");
-    EXPECT_EQ(ucell->latName, "none");
+    EXPECT_EQ(ucell->latName, "user_defined_lattice");
     EXPECT_DOUBLE_EQ(ucell->lat0, 0.0);
     EXPECT_DOUBLE_EQ(ucell->lat0_angstrom, 0.0);
     EXPECT_EQ(ucell->ntype, 0);
@@ -547,7 +547,7 @@ TEST_F(UcellTest, RemakeCell)
 
 TEST_F(UcellDeathTest, RemakeCellWarnings)
 {
-    std::vector<std::string> latname_in = {"none", "trigonal", "bacm", "triclinic", "arbitrary"};
+    std::vector<std::string> latname_in = {"user_defined_lattice", "trigonal", "bacm", "triclinic", "arbitrary"};
     for (int i = 0; i < latname_in.size(); ++i)
     {
         ucell->latvec.e11 = 10.0;
@@ -563,7 +563,7 @@ TEST_F(UcellDeathTest, RemakeCellWarnings)
         testing::internal::CaptureStdout();
         EXPECT_EXIT(unitcell::remake_cell(ucell->lat), ::testing::ExitedWithCode(1), "");
         std::string output = testing::internal::GetCapturedStdout();
-        if (latname_in[i] == "none")
+        if (latname_in[i] == "user_defined_lattice")
         {
             EXPECT_THAT(output, testing::HasSubstr("to use fixed_ibrav, latname must be provided"));
         }

source/source_cell/unitcell_data.h

@@ -7,7 +7,7 @@
 struct Lattice
 {
     std::string Coordinate = "Direct"; // "Direct" or "Cartesian" or "Cartesian_angstrom"
-    std::string latName = "none";      // Lattice name
+    std::string latName = "user_defined_lattice";  // Lattice name
     double lat0 = 0.0;                 // Lattice constant(bohr)(a.u.)
     double lat0_angstrom = 0.0;        // Lattice constant(angstrom)
     double tpiba = 0.0;                // 2*pi / lat0;
@@ -64,4 +64,4 @@ struct Statistics
     }
 };
 
-#endif
+#endif