Feature: build-in DFTD3 parameters

source/module_hamilt_general/module_vdw/test/CMakeLists.txt

@@ -9,4 +9,9 @@ AddTest(
   TARGET vdwTest
   LIBS parameter ${math_libs} base device vdw 
   SOURCES vdw_test.cpp 
+)
+
+AddTest(
+  TARGET dftd3_xc
+  SOURCES dftd3_xc_test.cpp
 )

source/module_hamilt_general/module_vdw/test/dftd3_xc_test.cpp

@@ -0,0 +1,52 @@
+#include <gtest/gtest.h>
+#include "module_hamilt_general/module_vdw/dftd3_xc_name.h"
+#include "module_hamilt_general/module_vdw/dftd3_xc_param.h"
+
+TEST(DFTD3XCTest, SearchXcnameLibXCXplusC)
+{
+    std::string xcpattern = "XC_GGA_X_PBE+XC_GGA_C_OP_PBE";
+    std::string xname;
+    DFTD3::_xcname_libxc_xplusc(xcpattern, xname);
+    EXPECT_EQ(xname, "pbeop");
+}
+
+TEST(DFTD3XCTest, SearchXcnameLibXCXC)
+{
+    std::string xcpattern = "XC_LDA_XC_TETER93";
+    std::string xname;
+    DFTD3::_xcname_libxc_xc(xcpattern, xname);
+    EXPECT_EQ(xname, "teter93");
+}
+
+TEST(DFTD3XCTest, SearchXcnameLibXC)
+{
+    std::string xcpattern = "XC_GGA_X_PBE+XC_GGA_C_OP_PBE";
+    std::string xname;
+    DFTD3::_xcname_libxc(xcpattern, xname);
+    EXPECT_EQ(xname, "pbeop");
+}
+
+TEST(DFTD3XCTest, SearchXcname)
+{
+    std::string xcpattern = "XC_GGA_X_PBE+XC_GGA_C_OP_PBE";
+    std::string xname = DFTD3::_xcname(xcpattern);
+    EXPECT_EQ(xname, "pbeop");
+
+    xcpattern = "XC_LDA_XC_TETER93";
+    xname = DFTD3::_xcname(xcpattern);
+    EXPECT_EQ(xname, "teter93");
+
+    xcpattern = "default";
+    xname = DFTD3::_xcname(xcpattern);
+    EXPECT_EQ(xname, "default");
+
+    xcpattern = "pbe";
+    xname = DFTD3::_xcname(xcpattern);
+    EXPECT_EQ(xname, "pbe");
+}
+
+int main(int argc, char **argv)
+{
+    ::testing::InitGoogleTest(&argc, argv);
+    return RUN_ALL_TESTS();
+}