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Test: Change the left-handed lattice vectors in integrate tests to right-handed
1 parent b31b3a1 commit 914f5b5

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10 files changed

+28
-28
lines changed

10 files changed

+28
-28
lines changed

‎tests/integrate/110_PW_SY/STRU‎

Lines changed: 10 additions & 10 deletions
Original file line numberDiff line numberDiff line change
@@ -5,9 +5,9 @@ LATTICE_CONSTANT
55
1.0
66

77
LATTICE_VECTORS
8-
10.20000 10.20000 0.00000
9-
10.20000 0.00000 10.20000
108
0.00000 10.20000 10.20000
9+
10.20000 0.00000 10.20000
10+
10.20000 10.20000 0.00000
1111

1212
ATOMIC_POSITIONS
1313
Direct
@@ -17,18 +17,18 @@ Si
1717
16
1818
0.0000000 0.0000000 0.0000000 1 1 1
1919
0.1250000 0.1250000 0.1250000 1 1 1
20-
0.0000000 0.0000000 0.5000000 1 1 1
21-
0.1250000 0.1250000 0.6250000 1 1 1
22-
0.0000000 0.5000000 0.0000000 1 1 1
23-
0.1250000 0.6250000 0.1250000 1 1 1
24-
0.0000000 0.5000000 0.5000000 1 1 1
25-
0.1250000 0.6250000 0.6250000 1 1 1
2620
0.5000000 0.0000000 0.0000000 1 1 1
2721
0.6250000 0.1250000 0.1250000 1 1 1
28-
0.5000000 0.0000000 0.5000000 1 1 1
29-
0.6250000 0.1250000 0.6250000 1 1 1
22+
0.0000000 0.5000000 0.0000000 1 1 1
23+
0.1250000 0.6250000 0.1250000 1 1 1
3024
0.5000000 0.5000000 0.0000000 1 1 1
3125
0.6250000 0.6250000 0.1250000 1 1 1
26+
0.0000000 0.0000000 0.5000000 1 1 1
27+
0.1250000 0.1250000 0.6250000 1 1 1
28+
0.5000000 0.0000000 0.5000000 1 1 1
29+
0.6250000 0.1250000 0.6250000 1 1 1
30+
0.0000000 0.5000000 0.5000000 1 1 1
31+
0.1250000 0.6250000 0.6250000 1 1 1
3232
0.5000000 0.5000000 0.5000000 1 1 1
3333
0.6250000 0.6250000 0.6250000 1 1 1
3434

‎tests/integrate/120_PW_KP_MD_NPT/STRU‎

Lines changed: 2 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -5,9 +5,9 @@ LATTICE_CONSTANT
55
10.2
66

77
LATTICE_VECTORS
8-
0.5 0.5 0 #latvec1
8+
0 0.5 0.5 #latvec1
99
0.5 0 0.5 #latvec2
10-
0 0.5 0.5 #latvec3
10+
0.5 0.5 0 #latvec3
1111

1212
ATOMIC_POSITIONS
1313
Cartesian

‎tests/integrate/120_PW_KP_MD_NVT/STRU_MD_2‎

Lines changed: 2 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -5,9 +5,9 @@ LATTICE_CONSTANT
55
10.2
66

77
LATTICE_VECTORS
8-
0.5 0.5 0 #latvec1
8+
0 0.5 0.5 #latvec1
99
0.5 0 0.5 #latvec2
10-
0 0.5 0.5 #latvec3
10+
0.5 0.5 0 #latvec3
1111

1212
ATOMIC_POSITIONS
1313
Cartesian

‎tests/integrate/170_PW_MD_1O/STRU‎

Lines changed: 2 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -5,9 +5,9 @@ LATTICE_CONSTANT
55
10.2
66

77
LATTICE_VECTORS
8-
0.5 0.5 0 #latvec1
8+
0 0.5 0.5 #latvec1
99
0.5 0 0.5 #latvec2
10-
0 0.5 0.5 #latvec3
10+
0.5 0.5 0 #latvec3
1111

1212
ATOMIC_POSITIONS
1313
Cartesian

‎tests/integrate/170_PW_MD_2O/STRU‎

Lines changed: 2 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -5,9 +5,9 @@ LATTICE_CONSTANT
55
10.2
66

77
LATTICE_VECTORS
8-
0.5 0.5 0 #latvec1
8+
0 0.5 0.5 #latvec1
99
0.5 0 0.5 #latvec2
10-
0 0.5 0.5 #latvec3
10+
0.5 0.5 0 #latvec3
1111

1212
ATOMIC_POSITIONS
1313
Cartesian

‎tests/integrate/220_NO_KP_MD_NVT/STRU‎

Lines changed: 2 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -8,9 +8,9 @@ LATTICE_CONSTANT
88
10.2
99

1010
LATTICE_VECTORS
11-
0.5 0.5 0 #latvec1
11+
0 0.5 0.5 #latvec1
1212
0.5 0 0.5 #latvec2
13-
0 0.5 0.5 #latvec3
13+
0.5 0.5 0 #latvec3
1414

1515
ATOMIC_POSITIONS
1616
Cartesian

‎tests/integrate/220_NO_KP_MD_wfc_out/STRU‎

Lines changed: 2 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -8,9 +8,9 @@ LATTICE_CONSTANT
88
10.2
99

1010
LATTICE_VECTORS
11-
0.5 0.5 0 #latvec1
11+
0 0.5 0.5 #latvec1
1212
0.5 0 0.5 #latvec2
13-
0 0.5 0.5 #latvec3
13+
0.5 0.5 0 #latvec3
1414

1515
ATOMIC_POSITIONS
1616
Cartesian

‎tests/integrate/270_NO_MD_1O/STRU‎

Lines changed: 2 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -8,9 +8,9 @@ LATTICE_CONSTANT
88
10.2
99

1010
LATTICE_VECTORS
11-
0.5 0.5 0 #latvec1
11+
0 0.5 0.5 #latvec1
1212
0.5 0 0.5 #latvec2
13-
0 0.5 0.5 #latvec3
13+
0.5 0.5 0 #latvec3
1414

1515
ATOMIC_POSITIONS
1616
Cartesian

‎tests/integrate/270_NO_MD_2O/STRU‎

Lines changed: 2 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -8,9 +8,9 @@ LATTICE_CONSTANT
88
10.2
99

1010
LATTICE_VECTORS
11-
0.5 0.5 0 #latvec1
11+
0 0.5 0.5 #latvec1
1212
0.5 0 0.5 #latvec2
13-
0 0.5 0.5 #latvec3
13+
0.5 0.5 0 #latvec3
1414

1515
ATOMIC_POSITIONS
1616
Cartesian

‎tests/integrate/320_NO_GO_MD_NVT/STRU‎

Lines changed: 2 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -8,9 +8,9 @@ LATTICE_CONSTANT
88
10.2
99

1010
LATTICE_VECTORS
11-
0.5 0.5 0 #latvec1
11+
0 0.5 0.5 #latvec1
1212
0.5 0 0.5 #latvec2
13-
0 0.5 0.5 #latvec3
13+
0.5 0.5 0 #latvec3
1414

1515
ATOMIC_POSITIONS
1616
Cartesian

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