Test: Add a unit test for read_kpoints ("Line_Cartesian") (#1675)

Author: ruiyiQM

source/src_pw/test/CMakeLists.txt

@@ -15,4 +15,4 @@ AddTest(
    SOURCES force_multi_device_test.cpp stress_multi_device_test.cpp wf_multi_device_test.cpp ../../src_parallel/parallel_reduce.cpp ../../src_parallel/parallel_kpoints.cpp ../../src_parallel/parallel_global.cpp ../../src_parallel/parallel_common.cpp
 )
 
-install(FILES KPT KPT1 KPT2 KPT4   DESTINATION ${CMAKE_CURRENT_BINARY_DIR})
+install(FILES KPT KPT1 KPT2 KPT4 KPT5   DESTINATION ${CMAKE_CURRENT_BINARY_DIR})

source/src_pw/test/KPT5

@@ -0,0 +1,9 @@
+K_POINTS
+6
+Line_Cartesian
+0  0  0     10
+0  0  1     10
+0.5 0 1     10
+0.75 0.75 0 10
+0.5 0.5 0.5 10
+0  0  0     1

source/src_pw/test/klist_test.cpp

@@ -48,9 +48,10 @@ namespace GlobalC
  *   - K_Vectors()
  *     - basic parameters (nks,nkstot,nkstot_ibz) are set
  *   - read_kpoints()
- *     - read from file
+ *     - read from file 
  *     - generate KPT from kspacing parameter 
  *     - renew and memory allocation  
+ *     - read from file (Line_Cartesian kpoint file) 
  */
 
 #define private public
@@ -164,11 +165,11 @@ TEST_F(KlistTest, Renew)
 {
 	K_Vectors kv;
 	std::string k_file = "KPT4";
-        //Cartesian: non-spin case nspin=0
+        //Cartesian: non-spin case nspin=1
 	kv.nspin = 1;
 	kv.read_kpoints(k_file);
 	EXPECT_EQ(kv.kvec_c.size(),5);
-	//spin case nspin=1
+	//spin case nspin=2
 	kv.nspin = 2;
 	kv.read_kpoints(k_file);
 	EXPECT_EQ(kv.kvec_c.size(),10);
@@ -177,4 +178,24 @@ TEST_F(KlistTest, Renew)
 
 }
 
+TEST_F(KlistTest, LineCartesian)
+{
+	K_Vectors kv;
+	std::string k_file = "KPT5";
+    //Line Cartesian: non-spin case nspin=1
+	kv.nspin = 1;
+	// Read from k point file under the case of Line_Cartesian.
+	kv.read_kpoints(k_file);
+	EXPECT_EQ(kv.nkstot,51);
+	EXPECT_EQ(kv.kvec_c.size(),51);
+	//Line Cartesian: spin case nspin=2
+	kv.nspin = 2;
+	// Read from k point file under the case of Line_Cartesian.
+	kv.read_kpoints(k_file);
+	EXPECT_EQ(kv.nkstot,51);
+	EXPECT_EQ(kv.kvec_c.size(),102);
+	remove("KPT5");
+	
+    
+}
 #undef private