add ut files

deepmodeling · Oct 28, 2024 · e0eeb35 · e0eeb35
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diff --git a/tests/poscars/POSCAR.oh.err1 b/tests/poscars/POSCAR.oh.err1
@@ -0,0 +1,11 @@
+Cubic BN
+   3.57
+ 0.00 0.50 0.50
+ 0.45 0.00 0.50
+ 0.55 0.51 0.00
+ O H
+   1 1
+Selective dynamics
+Cartesian
+ 0.00 0.00 0.00 T T F
+ 0.25 0.25 0.25 F F
diff --git a/tests/poscars/POSCAR.oh.err2 b/tests/poscars/POSCAR.oh.err2
@@ -0,0 +1,11 @@
+Cubic BN
+   3.57
+ 0.00 0.50 0.50
+ 0.45 0.00 0.50
+ 0.55 0.51 0.00
+ O H
+   1 1
+Selective dynamics
+Cartesian
+ 0.00 0.00 0.00 T T F
+ 0.25 0.25 0.25 a T F