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Commit 16398a5

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fix a bug
1 parent 91b0ee5 commit 16398a5

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source/source_estate/test/elecstate_print_test.cpp

Lines changed: 1 addition & 44 deletions
Original file line numberDiff line numberDiff line change
@@ -184,7 +184,7 @@ TEST_F(ElecStatePrintTest, PrintEtot)
184184
GlobalV::ofs_running.close();
185185
ifs.open("test.dat", std::ios::in);
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std::string str((std::istreambuf_iterator<char>(ifs)), std::istreambuf_iterator<char>());
187-
EXPECT_THAT(str, testing::HasSubstr("Electron density deviation = 0.1"));
187+
EXPECT_THAT(str, testing::HasSubstr("Electron density deviation 0.1"));
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EXPECT_THAT(str, testing::HasSubstr("Diago Threshold = 0.1"));
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EXPECT_THAT(str, testing::HasSubstr("E_KohnSham"));
190190
EXPECT_THAT(str, testing::HasSubstr("E_vdwD2"));
@@ -198,49 +198,6 @@ TEST_F(ElecStatePrintTest, PrintEtot)
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std::remove("test.dat");
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}
200200

201-
/*
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TEST_F(ElecStatePrintTest, PrintEtot2)
203-
{
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GlobalV::ofs_running.open("test.dat", std::ios::out);
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bool converged = false;
206-
int iter = 1;
207-
double scf_thr = 0.1;
208-
double scf_thr_kin = 0.0;
209-
double duration = 2.0;
210-
double pw_diag_thr = 0.1;
211-
int avg_iter = 2;
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bool print = true;
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PARAM.input.out_freq_elec = 0;
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elecstate.charge = new Charge;
215-
elecstate.charge->nrxx = 100;
216-
elecstate.charge->nxyz = 1000;
217-
PARAM.input.imp_sol = true;
218-
PARAM.input.efield_flag = true;
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PARAM.input.gate_flag = true;
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PARAM.sys.two_fermi = false;
221-
PARAM.input.out_bandgap = true;
222-
GlobalV::MY_RANK = 0;
223-
PARAM.input.basis_type = "pw";
224-
PARAM.input.scf_nmax = 100;
225-
226-
elecstate::print_etot(ucell.magnet,elecstate,converged, iter, scf_thr, scf_thr_kin, duration,
227-
pw_diag_thr, avg_iter, print);
228-
229-
GlobalV::ofs_running.close();
230-
ifs.open("test.dat", std::ios::in);
231-
std::string str((std::istreambuf_iterator<char>(ifs)), std::istreambuf_iterator<char>());
232-
EXPECT_THAT(str, testing::HasSubstr("Electron density deviation = 0.1"));
233-
EXPECT_THAT(str, testing::HasSubstr("Diago Threshold = 0.1"));
234-
EXPECT_THAT(str, testing::HasSubstr("E_KohnSham"));
235-
EXPECT_THAT(str, testing::HasSubstr("E_Harris"));
236-
EXPECT_THAT(str, testing::HasSubstr("E_Fermi"));
237-
EXPECT_THAT(str, testing::HasSubstr("E_bandgap"));
238-
ifs.close();
239-
delete elecstate.charge;
240-
std::remove("test.dat");
241-
}
242-
*/
243-
244201
TEST_F(ElecStatePrintTest, PrintEtotColorS2)
245202
{
246203
bool converged = false;

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