modify symmetry_autoclose to true

docs/advanced/input_files/input-main.md

@@ -438,7 +438,7 @@ These variables are used to control general system parameters.
 - **Description**: Control how to deal with error in symmetry analysis due to inaccurate lattice parameters or atom positions in STRU file, especially useful when *[calculation](#calculation)==cell-relax*
   - False: quit with an error message
   - True: automatically set symmetry to 0 and continue running without symmetry analysis
-- **Default**: False
+- **Default**: True
 
 ### kpar
 

source/module_io/input.cpp

@@ -211,7 +211,7 @@ void Input::Default(void)
     init_vel = false;
     ref_cell_factor = 1.0;
     symmetry_prec = 1.0e-6; // LiuXh add 2021-08-12, accuracy for symmetry
-    symmetry_autoclose = false; // whether to close symmetry automatically when error occurs in symmetry analysis
+    symmetry_autoclose = true; // whether to close symmetry automatically when error occurs in symmetry analysis
     cal_force = 0;
     force_thr = 1.0e-3;
     force_thr_ev2 = 0;

source/module_io/test/input_test.cpp

@@ -89,7 +89,7 @@ TEST_F(InputTest, Default)
         EXPECT_FALSE(INPUT.init_vel);
         EXPECT_DOUBLE_EQ(INPUT.ref_cell_factor,1.0);
         EXPECT_DOUBLE_EQ(INPUT.symmetry_prec, 1.0e-6);
-        EXPECT_FALSE(INPUT.symmetry_autoclose);
+        EXPECT_TRUE(INPUT.symmetry_autoclose);
         EXPECT_EQ(INPUT.cal_force, 0);
         EXPECT_DOUBLE_EQ(INPUT.force_thr,1.0e-3);
         EXPECT_DOUBLE_EQ(INPUT.force_thr_ev2,0);
@@ -446,7 +446,7 @@ TEST_F(InputTest, Read)
         EXPECT_EQ(INPUT.symmetry,"1");
         EXPECT_FALSE(INPUT.init_vel);
         EXPECT_DOUBLE_EQ(INPUT.symmetry_prec, 1.0e-6);
-        EXPECT_FALSE(INPUT.symmetry_autoclose);
+        EXPECT_TRUE(INPUT.symmetry_autoclose);
         EXPECT_EQ(INPUT.cal_force, 0);
         EXPECT_NEAR(INPUT.force_thr,1.0e-3,1.0e-7);
         EXPECT_DOUBLE_EQ(INPUT.force_thr_ev2,0);

source/module_io/test/input_test_para.cpp

@@ -95,7 +95,7 @@ TEST_F(InputParaTest,Bcast)
         EXPECT_EQ(INPUT.symmetry,"default");
         EXPECT_FALSE(INPUT.init_vel);
         EXPECT_DOUBLE_EQ(INPUT.symmetry_prec, 1.0e-6);
-        EXPECT_FALSE(INPUT.symmetry_autoclose);
+        EXPECT_TRUE(INPUT.symmetry_autoclose);
         EXPECT_EQ(INPUT.cal_force, 0);
         EXPECT_DOUBLE_EQ(INPUT.force_thr,1.0e-3);
         EXPECT_DOUBLE_EQ(INPUT.force_thr_ev2,0);

source/module_io/test/support/INPUT

@@ -22,7 +22,7 @@ nbands_sto                     256 #number of stochastic bands
 nbands_istate                  5 #number of bands around Fermi level for get_pchg calulation
 symmetry                       1 #the control of symmetry
 init_vel                       False #read velocity from STRU or not
-symmetry_prec                  1e-05 #accuracy for symmetry
+symmetry_prec                  1e-06 #accuracy for symmetry
 nelec                          0 #input number of electrons
 out_mul                        0 # mulliken  charge or not
 noncolin                       0 #using non-collinear-spin

source/module_io/test/write_input_test.cpp

@@ -72,7 +72,7 @@ TEST_F(write_input, General1)
     EXPECT_THAT(output, testing::HasSubstr("init_vel                       0 #read velocity from STRU or not"));
     EXPECT_THAT(output, testing::HasSubstr("symmetry_prec                  1e-05 #accuracy for symmetry"));
     EXPECT_THAT(output,
-                testing::HasSubstr("symmetry_autoclose             0 #whether to close symmetry automatically when "
+                testing::HasSubstr("symmetry_autoclose             1 #whether to close symmetry automatically when "
                                    "error occurs in symmetry analysis"));
     EXPECT_THAT(output, testing::HasSubstr("nelec                          0 #input number of electrons"));
     EXPECT_THAT(output, testing::HasSubstr("out_mul                        0 # mulliken  charge or not"));