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Update test_ase_traj.py
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thangckt committed May 27, 2024
1 parent bdcb887 commit 1c1ebdc
Showing 1 changed file with 2 additions and 2 deletions.
4 changes: 2 additions & 2 deletions tests/test_ase_traj.py
Original file line number Diff line number Diff line change
Expand Up @@ -71,7 +71,7 @@ def setUp(self):
class TestASEtraj4(unittest.TestCase, CompSys, IsPBC):
def setUp(self):
self.system_1 = dpdata.System("ase_traj/MoS2", fmt="deepmd")
self.system_1.to_system(file_name="tmp.traj")
self.system_1.to(file_name="tmp.traj", fmt='ase/traj')
self.system_2 = dpdata.System("tmp.traj", fmt="ase/traj")
self.places = 6
self.e_places = 6
Expand All @@ -83,7 +83,7 @@ def setUp(self):
class TestASEtraj4Labeled(unittest.TestCase, CompLabeledSys, IsPBC):
def setUp(self):
self.system_1 = dpdata.LabeledSystem("ase_traj/MoS2", fmt="deepmd")
self.system_1.to_labeled_system(file_name="tmp1.traj")
self.system_1.to(file_name="tmp1.traj", fmt='ase/traj')
self.system_2 = dpdata.LabeledSystem("tmp1.traj", fmt="ase/traj")
self.places = 6
self.e_places = 6
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