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Commit 000427c

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author
abacus_fixer
committed
update mulliken test
1 parent 2bbe4d4 commit 000427c

1 file changed

Lines changed: 7 additions & 10 deletions

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source/source_io/test/output_mulliken_test.cpp

Lines changed: 7 additions & 10 deletions
Original file line numberDiff line numberDiff line change
@@ -50,7 +50,7 @@ TYPED_TEST(OutputMullikenTest, nspin1)
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std::ifstream ifs("./mulliken.txt");
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std::string str((std::istreambuf_iterator<char>(ifs)), std::istreambuf_iterator<char>());
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EXPECT_THAT(str, testing::HasSubstr(" Total charge 4"));
53-
EXPECT_THAT(str, testing::HasSubstr(" total charge on atom 1 4.0000"));
53+
EXPECT_THAT(str, testing::HasSubstr("total charge on atom 1 4.0000"));
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remove("./mulliken.txt");
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}
5656

@@ -72,8 +72,8 @@ TYPED_TEST(OutputMullikenTest, nspin2)
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EXPECT_THAT(str, testing::HasSubstr(" Total charge 4"));
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EXPECT_THAT(str, testing::HasSubstr(" Total charge of spin1 3"));
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EXPECT_THAT(str, testing::HasSubstr(" Total charge of spin2 1"));
75-
EXPECT_THAT(str, testing::HasSubstr(" total charge on atom 1 4.0000"));
76-
EXPECT_THAT(str, testing::HasSubstr(" total magnetism on atom 1 2.0000"));
75+
EXPECT_THAT(str, testing::HasSubstr("total charge on atom 1 4.0000"));
76+
EXPECT_THAT(str, testing::HasSubstr("total magnetism on atom 1 2.0000"));
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remove("./mulliken.txt");
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}
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@@ -96,11 +96,8 @@ TYPED_TEST(OutputMullikenTest, nspin4)
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std::ifstream ifs("./mulliken.txt");
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std::string str((std::istreambuf_iterator<char>(ifs)), std::istreambuf_iterator<char>());
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EXPECT_THAT(str, testing::HasSubstr(" Total charge 4"));
99-
EXPECT_THAT(str, testing::HasSubstr(" total charge on atom 1 4.0000"));
100-
EXPECT_THAT(
101-
str,
102-
testing::HasSubstr(
103-
" total magnetism on atom 1 0.0000 0.0000 2.0000"));
99+
EXPECT_THAT(str, testing::HasSubstr("total charge on atom 1 4.0000"));
100+
EXPECT_THAT(str, testing::HasSubstr("total magnetism on atom 1 0.0000 0.0000 2.0000"));
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remove("./mulliken.txt");
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}
106103

@@ -111,8 +108,8 @@ int main(int argc, char** argv)
111108
MPI_Init(&argc, &argv);
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testing::InitGoogleTest(&argc, argv);
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114-
int nprocs;
115-
int myrank;
111+
int nprocs=0;
112+
int myrank=0;
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MPI_Comm_size(MPI_COMM_WORLD, &nprocs);
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MPI_Comm_rank(MPI_COMM_WORLD, &myrank);

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