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Test: update cmake and support files in module_cell #1849

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Feb 3, 2023
Merged

Test: update cmake and support files in module_cell #1849

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9 changes: 4 additions & 5 deletions source/module_cell/test/CMakeLists.txt
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Original file line number Diff line number Diff line change
Expand Up @@ -9,16 +9,15 @@ AddTest(
SOURCES read_pp_upf_test.cpp ../read_pp.cpp ../read_pp_upf201.cpp ../read_pp_upf100.cpp ../read_pp_vwr.cpp ../read_pp_blps.cpp ../../src_parallel/parallel_reduce.cpp ../../src_parallel/parallel_kpoints.cpp ../../src_parallel/parallel_global.cpp ../../src_parallel/parallel_common.cpp ../../module_io/output.cpp
)

install(DIRECTORY support DESTINATION ${CMAKE_CURRENT_BINARY_DIR})

AddTest(
TARGET klist_test
LIBS ${math_libs} base device
SOURCES klist_test.cpp ../klist.cpp
../../src_parallel/parallel_reduce.cpp ../../src_parallel/parallel_kpoints.cpp
../../src_parallel/parallel_global.cpp ../../src_parallel/parallel_common.cpp
../../module_io/output.cpp ../../module_cell/module_symmetry/symm_other.cpp
../../module_cell/module_symmetry/symmetry_basic.cpp ../../module_cell/module_symmetry/symmetry.cpp
../../module_io/output.cpp ../module_symmetry/symm_other.cpp
../module_symmetry/symmetry_basic.cpp ../module_symmetry/symmetry.cpp
)

install(FILES KPT KPT1 KPT2 KPT4 KPT5 DESTINATION ${CMAKE_CURRENT_BINARY_DIR})
install(DIRECTORY support DESTINATION ${CMAKE_CURRENT_BINARY_DIR})

26 changes: 13 additions & 13 deletions source/module_cell/test/klist_test.cpp
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Expand Up @@ -115,33 +115,33 @@ TEST_F(KlistTest, MP)

TEST_F(KlistTest, ReadMesh)
{
std::string k_file = "KPT";
std::string k_file = "./support/KPT";
kv.nspin = 1;
kv.read_kpoints(k_file);
EXPECT_EQ(kv.nkstot,512);
remove("KPT");
//remove("KPT");
}

TEST_F(KlistTest, ReadMP)
{
K_Vectors kv;
std::string k_file = "KPT1";
std::string k_file = "./support/KPT1";
kv.nspin = 1;
kv.read_kpoints(k_file);
EXPECT_EQ(kv.nkstot,512);
remove("KPT1");
//remove("KPT1");
}

TEST_F(KlistTest, ReadList)
{
ModuleSymmetry::Symmetry::symm_flag=0;
// symm_flag is required in read_kpoints for a k list
K_Vectors kv;
std::string k_file = "KPT2";
std::string k_file = "./support/KPT2";
kv.nspin = 1;
kv.read_kpoints(k_file);
EXPECT_EQ(kv.nkstot,122);
remove("KPT2");
//remove("KPT2");
}

TEST_F(KlistTest, Kspacing)
Expand All @@ -154,18 +154,18 @@ TEST_F(KlistTest, Kspacing)
GlobalC::ucell.G = GlobalC::ucell.GT.Transpose();
GlobalC::ucell.lat0 = 1.8897261254578281;
GlobalV::KSPACING = 0.052918; // 0.52918/Bohr = 1/A
std::string k_file = "KPT3";
std::string k_file = "./support/KPT3";
kv.read_kpoints(k_file);
EXPECT_EQ(kv.nkstot,343);
remove("KPT3");
//remove("KPT3");
GlobalV::KSPACING=0.0;

}

TEST_F(KlistTest, Renew)
{
K_Vectors kv;
std::string k_file = "KPT4";
std::string k_file = "./support/KPT4";
//Cartesian: non-spin case nspin=1
kv.nspin = 1;
kv.read_kpoints(k_file);
Expand All @@ -182,7 +182,7 @@ TEST_F(KlistTest, Renew)
TEST_F(KlistTest, LineCartesian)
{
K_Vectors kv;
std::string k_file = "KPT5";
std::string k_file = "./support/KPT5";
//Line Cartesian: non-spin case nspin=1
kv.nspin = 1;
kv.set_kup_and_kdw_after_vc();
Expand All @@ -196,15 +196,15 @@ TEST_F(KlistTest, LineCartesian)
kv.read_kpoints(k_file);
EXPECT_EQ(kv.nkstot,51);
EXPECT_EQ(kv.kvec_c.size(),102);
remove("KPT5");
//remove("KPT5");


}

TEST_F(KlistTest, SetKupKdownAfterXC)
{
K_Vectors kv;
std::string k_file = "KPT4";
std::string k_file = "./support/KPT4";
//Cartesian: non-spin case nspin=1
kv.nspin = 1;
kv.read_kpoints(k_file);
Expand Down Expand Up @@ -238,7 +238,7 @@ TEST_F(KlistTest, SetKupKdownAfterXC)
EXPECT_EQ(kv.isk[ik+5],1);
}

remove("KPT4");
//remove("KPT4");


}
Expand Down
0 source/module_cell/test/KPT → source/module_cell/test/support/KPT
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0 source/module_cell/test/KPT1 → source/module_cell/test/support/KPT1
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0 source/module_cell/test/KPT2 → source/module_cell/test/support/KPT2
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0 source/module_cell/test/KPT4 → source/module_cell/test/support/KPT4
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0 source/module_cell/test/KPT5 → source/module_cell/test/support/KPT5
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