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QianruipkuQianruipku
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Merge branch 'develop' of https://github.com/deepmodeling/abacus-develop into hotfix2
2 parents 111c3fb + 6cd8fb9 commit f928375

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108 files changed

+483
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lines changed

‎source/Makefile.Objects‎

Lines changed: 1 addition & 3 deletions
Original file line numberDiff line numberDiff line change
@@ -402,9 +402,7 @@ OBJS_PSI_INITIALIZER=psi_initializer.o\
402402
psi_initializer_nao.o\
403403
psi_initializer_nao_random.o\
404404

405-
OBJS_PW=fft.o\
406-
fft_bundle.o\
407-
fft_base.o\
405+
OBJS_PW=fft_bundle.o\
408406
fft_cpu.o\
409407
pw_basis.o\
410408
pw_basis_k.o\

‎source/module_base/module_mixing/test/mixing_test.cpp‎

Lines changed: 4 additions & 4 deletions
Original file line numberDiff line numberDiff line change
@@ -181,15 +181,15 @@ TEST_F(Mixing_Test, BroydenSolveLinearEq)
181181

182182
testing::internal::CaptureStdout();
183183
EXPECT_EXIT(this->mixing->push_data(testdata, x_in.data(), x_out.data(), nullptr, true),
184-
::testing::ExitedWithCode(0),
184+
::testing::ExitedWithCode(1),
185185
"");
186186
output = testing::internal::GetCapturedStdout();
187187
EXPECT_THAT(
188188
output,
189189
testing::HasSubstr("One Broyden_Mixing object can only bind one Mixing_Data object to calculate coefficients"));
190190

191191
testing::internal::CaptureStdout();
192-
EXPECT_EXIT(this->mixing->cal_coef(testdata, ext_inner_product_mock), ::testing::ExitedWithCode(0), "");
192+
EXPECT_EXIT(this->mixing->cal_coef(testdata, ext_inner_product_mock), ::testing::ExitedWithCode(1), "");
193193
output = testing::internal::GetCapturedStdout();
194194
EXPECT_THAT(
195195
output,
@@ -229,15 +229,15 @@ TEST_F(Mixing_Test, PulaySolveLinearEq)
229229

230230
testing::internal::CaptureStdout();
231231
EXPECT_EXIT(this->mixing->push_data(testdata, x_in.data(), x_out.data(), nullptr, true),
232-
::testing::ExitedWithCode(0),
232+
::testing::ExitedWithCode(1),
233233
"");
234234
output = testing::internal::GetCapturedStdout();
235235
EXPECT_THAT(
236236
output,
237237
testing::HasSubstr("One Pulay_Mixing object can only bind one Mixing_Data object to calculate coefficients"));
238238

239239
testing::internal::CaptureStdout();
240-
EXPECT_EXIT(this->mixing->cal_coef(testdata, ext_inner_product_mock), ::testing::ExitedWithCode(0), "");
240+
EXPECT_EXIT(this->mixing->cal_coef(testdata, ext_inner_product_mock), ::testing::ExitedWithCode(1), "");
241241
output = testing::internal::GetCapturedStdout();
242242
EXPECT_THAT(
243243
output,

‎source/module_base/test/complexarray_test.cpp‎

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -477,7 +477,7 @@ TEST_F(ComplexArray_test,xAlloc)
477477
{
478478
std::string output;
479479
testing::internal::CaptureStdout();
480-
EXPECT_EXIT(ModuleBase::complexArrayxAlloc(),::testing::ExitedWithCode(0),"");
480+
EXPECT_EXIT(ModuleBase::complexArrayxAlloc(),::testing::ExitedWithCode(1),"");
481481
output = testing::internal::GetCapturedStdout();
482482
EXPECT_THAT(output,testing::HasSubstr("Allocation error for complexArray"));
483483
}

‎source/module_base/test/global_function_test.cpp‎

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -713,7 +713,7 @@ TEST_F(GlobalFunctionTest,BlockHere2)
713713
std::istringstream iss{fake_input};
714714
std::cin.rdbuf(iss.rdbuf());
715715
testing::internal::CaptureStdout();
716-
// EXPECT_EXIT(ModuleBase::GlobalFunc::BLOCK_HERE(block_in), ::testing::ExitedWithCode(0),"");
716+
// EXPECT_EXIT(ModuleBase::GlobalFunc::BLOCK_HERE(block_in), ::testing::ExitedWithCode(1),"");
717717
ModuleBase::GlobalFunc::BLOCK_HERE(block_in);
718718
output2 = testing::internal::GetCapturedStdout();
719719
EXPECT_THAT(output2,testing::HasSubstr("\n********************************************"

‎source/module_base/test/math_chebyshev_test.cpp‎

Lines changed: 9 additions & 6 deletions
Original file line numberDiff line numberDiff line change
@@ -50,8 +50,9 @@ class toolfunc
5050
void sigma_y(std::complex<double>* spin_in, std::complex<double>* spin_out, const int m = 1)
5151
{
5252
const std::complex<double> j(0.0, 1.0);
53-
if (this->LDA < 2)
53+
if (this->LDA < 2) {
5454
this->LDA = 2;
55+
}
5556
for (int i = 0; i < m; ++i)
5657
{
5758
spin_out[LDA * i] = -factor * j * spin_in[LDA * i + 1];
@@ -299,10 +300,11 @@ TEST_F(MathChebyshevTest, tracepolyA)
299300
// Trace: even function: 2 ; odd function 0.
300301
for (int i = 0; i < norder; ++i)
301302
{
302-
if (i % 2 == 0)
303+
if (i % 2 == 0) {
303304
EXPECT_NEAR(p_chetest->polytrace[i], 2, 1.e-8);
304-
else
305+
} else {
305306
EXPECT_NEAR(p_chetest->polytrace[i], 0, 1.e-8);
307+
}
306308
}
307309
delete[] v;
308310

@@ -321,10 +323,11 @@ TEST_F(MathChebyshevTest, tracepolyA)
321323
// Trace: even function: 2 ; odd function 0.
322324
for (int i = 0; i < norder; ++i)
323325
{
324-
if (i % 2 == 0)
326+
if (i % 2 == 0) {
325327
EXPECT_NEAR(p_chetest->polytrace[i], 2, 1.e-8);
326-
else
328+
} else {
327329
EXPECT_NEAR(p_chetest->polytrace[i], 0, 1.e-8);
330+
}
328331
}
329332
fun.LDA = 2;
330333
delete[] v;
@@ -379,7 +382,7 @@ TEST_F(MathChebyshevTest, checkconverge)
379382
TEST_F(MathChebyshevTest, recurs)
380383
{
381384
testing::internal::CaptureStdout();
382-
EXPECT_EXIT(ModuleBase::Chebyshev<double> noneche(0), ::testing::ExitedWithCode(0), "");
385+
EXPECT_EXIT(ModuleBase::Chebyshev<double> noneche(0), ::testing::ExitedWithCode(1), "");
383386
std::string output = testing::internal::GetCapturedStdout();
384387
EXPECT_THAT(output, testing::HasSubstr("NOTICE"));
385388

‎source/module_base/test/matrix_test.cpp‎

Lines changed: 2 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -335,7 +335,7 @@ TEST_F(matrixTest,Alloc)
335335
{
336336
std::string output;
337337
testing::internal::CaptureStdout();
338-
EXPECT_EXIT(ModuleBase::matrixAlloc(), ::testing::ExitedWithCode(0),"");
338+
EXPECT_EXIT(ModuleBase::matrixAlloc(), ::testing::ExitedWithCode(1),"");
339339
output = testing::internal::GetCapturedStdout();
340340
EXPECT_THAT(output,testing::HasSubstr("Allocation error for Matrix"));
341341
}
@@ -359,7 +359,7 @@ TEST_F(matrixTest,Print)
359359
std::string output;
360360
const double threshold=4.0;
361361
testing::internal::CaptureStdout();
362-
//EXPECT_EXIT(m33a.print(std::cout,threshold),::testing::ExitedWithCode(0),"");
362+
//EXPECT_EXIT(m33a.print(std::cout,threshold),::testing::ExitedWithCode(1),"");
363363
m33a.print(std::cout,threshold);
364364
output = testing::internal::GetCapturedStdout();
365365
EXPECT_THAT(output,testing::HasSubstr("0\t0\t0\t\n0\t5\t6\t\n7\t8\t9\t\n"));

‎source/module_base/test/tool_check_test.cpp‎

Lines changed: 4 additions & 4 deletions
Original file line numberDiff line numberDiff line change
@@ -59,7 +59,7 @@ TEST_F(ToolCheckTest, Name)
5959
EXPECT_THAT(output,testing::HasSubstr("not match"));
6060
// quit check: quit = false
6161
testing::internal::CaptureStdout();
62-
EXPECT_EXIT(ModuleBase::CHECK_NAME(ifs, "abacus"), ::testing::ExitedWithCode(0), "");
62+
EXPECT_EXIT(ModuleBase::CHECK_NAME(ifs, "abacus"), ::testing::ExitedWithCode(1), "");
6363
output = testing::internal::GetCapturedStdout();
6464
EXPECT_THAT(output,testing::HasSubstr("NOTICE"));
6565
ifs.close();
@@ -80,7 +80,7 @@ TEST_F(ToolCheckTest, Int)
8080
EXPECT_THAT(output,testing::HasSubstr("not match"));
8181
// quit check: quit = false
8282
testing::internal::CaptureStdout();
83-
EXPECT_EXIT(ModuleBase::CHECK_INT(ifs, 80), ::testing::ExitedWithCode(0), "");
83+
EXPECT_EXIT(ModuleBase::CHECK_INT(ifs, 80), ::testing::ExitedWithCode(1), "");
8484
output = testing::internal::GetCapturedStdout();
8585
EXPECT_THAT(output,testing::HasSubstr("NOTICE"));
8686
ifs.close();
@@ -101,7 +101,7 @@ TEST_F(ToolCheckTest, Double)
101101
EXPECT_THAT(output,testing::HasSubstr("not match"));
102102
// quit check
103103
testing::internal::CaptureStdout();
104-
EXPECT_EXIT(ModuleBase::CHECK_DOUBLE(ifs, 0.22998), ::testing::ExitedWithCode(0), "");
104+
EXPECT_EXIT(ModuleBase::CHECK_DOUBLE(ifs, 0.22998), ::testing::ExitedWithCode(1), "");
105105
output = testing::internal::GetCapturedStdout();
106106
EXPECT_THAT(output,testing::HasSubstr("NOTICE"));
107107
ifs.close();
@@ -122,7 +122,7 @@ TEST_F(ToolCheckTest, String)
122122
EXPECT_THAT(output,testing::HasSubstr("not match"));
123123
// quit check
124124
testing::internal::CaptureStdout();
125-
EXPECT_EXIT(ModuleBase::CHECK_STRING(ifs, "scf"), ::testing::ExitedWithCode(0), "");
125+
EXPECT_EXIT(ModuleBase::CHECK_STRING(ifs, "scf"), ::testing::ExitedWithCode(1), "");
126126
output = testing::internal::GetCapturedStdout();
127127
EXPECT_THAT(output,testing::HasSubstr("NOTICE"));
128128
ifs.close();

‎source/module_base/test/tool_quit_test.cpp‎

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -79,7 +79,7 @@ TEST_F(ToolQuitTest,warningquit)
7979
{
8080
testing::internal::CaptureStdout();
8181
EXPECT_EXIT(ModuleBase::WARNING_QUIT("INPUT","bad input parameter"),
82-
::testing::ExitedWithCode(0), "");
82+
::testing::ExitedWithCode(1), "");
8383
output = testing::internal::GetCapturedStdout();
8484
// test output on screening
8585
EXPECT_THAT(output,testing::HasSubstr("TIME STATISTICS"));

‎source/module_base/tool_quit.cpp‎

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -61,7 +61,7 @@ void QUIT(int ret)
6161

6262
void WARNING_QUIT(const std::string &file,const std::string &description)
6363
{
64-
WARNING_QUIT(file, description, 0);
64+
WARNING_QUIT(file, description, 1);
6565
}
6666

6767
void WARNING_QUIT(const std::string &file,const std::string &description,int ret)

‎source/module_basis/module_ao/test/ORB_read_test.cpp‎

Lines changed: 3 additions & 3 deletions
Original file line numberDiff line numberDiff line change
@@ -109,19 +109,19 @@ void LcaoOrbitalsTest::TearDown() {
109109

110110
TEST_F(LcaoOrbitalsTest, ReadInFlag) {
111111
read_in_flag_ = false;
112-
EXPECT_EXIT(this->lcao_read(), testing::ExitedWithCode(0), "");
112+
EXPECT_EXIT(this->lcao_read(), testing::ExitedWithCode(1), "");
113113
}
114114

115115

116116
TEST_F(LcaoOrbitalsTest, WrongOrbFile) {
117117
orbital_file_[0] = "./lcao_H2O/H_gga_8au_60Ry_2s1.orb";
118-
EXPECT_EXIT(this->lcao_read(), testing::ExitedWithCode(0), "");
118+
EXPECT_EXIT(this->lcao_read(), testing::ExitedWithCode(1), "");
119119
}
120120

121121

122122
TEST_F(LcaoOrbitalsTest, WrongDescFile) {
123123
descriptor_file_ = "./lcao_H2O/jl.orb";
124-
EXPECT_EXIT(this->lcao_read(), testing::ExitedWithCode(0), "");
124+
EXPECT_EXIT(this->lcao_read(), testing::ExitedWithCode(1), "");
125125
}
126126

127127

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