예제 #1
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 def setUp(self):
     with open(os.path.join(test_dir, "NaCl_ph_dos.json"), "r") as f:
         self.dos = PhononDos.from_dict(json.load(f))
     with open(os.path.join(test_dir, "NaCl_complete_ph_dos.json"),
               "r") as f:
         self.structure = CompletePhononDos.from_dict(
             json.load(f)).structure
예제 #2
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 def setUp(self):
     with open(
             os.path.join(PymatgenTest.TEST_FILES_DIR,
                          "NaCl_complete_ph_dos.json")) as f:
         self.dos = CompletePhononDos.from_dict(json.load(f))
         self.plotter = PhononDosPlotter(sigma=0.2, stack=True)
         self.plotter_nostack = PhononDosPlotter(sigma=0.2, stack=False)
예제 #3
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 def setUp(self):
     with open(os.path.join(PymatgenTest.TEST_FILES_DIR,
                            "NaCl_ph_dos.json")) as f:
         self.dos = PhononDos.from_dict(json.load(f))
     with open(
             os.path.join(PymatgenTest.TEST_FILES_DIR,
                          "NaCl_complete_ph_dos.json")) as f:
         self.structure = CompletePhononDos.from_dict(
             json.load(f)).structure
예제 #4
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 def setUp(self):
     with open(os.path.join(test_dir, "NaCl_complete_ph_dos.json"), "r") as f:
         self.dos = CompletePhononDos.from_dict(json.load(f))
         self.plotter = ThermoPlotter(self.dos, self.dos.structure)
예제 #5
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 def setUp(self):
     with open(os.path.join(test_dir, "NaCl_complete_ph_dos.json"), "r") as f:
         self.dos = CompletePhononDos.from_dict(json.load(f))
         self.plotter = PhononDosPlotter(sigma=0.2, stack=True)
예제 #6
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파일: test_dos.py 프로젝트: albalu/pymatgen
 def setUp(self):
     with open(os.path.join(test_dir, "NaCl_complete_ph_dos.json"), "r") as f:
         self.cdos = CompletePhononDos.from_dict(json.load(f))
예제 #7
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 def setUp(self):
     with open(os.path.join(test_dir, "NaCl_complete_ph_dos.json"), "r") as f:
         self.dos = CompletePhononDos.from_dict(json.load(f))
         self.plotter = ThermoPlotter(self.dos, self.dos.structure)
예제 #8
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 def setUp(self):
     with open(os.path.join(test_dir, "NaCl_complete_ph_dos.json"), "r") as f:
         self.dos = CompletePhononDos.from_dict(json.load(f))
         self.plotter = PhononDosPlotter(sigma=0.2, stack=True)
         self.plotter_nostack = PhononDosPlotter(sigma=0.2, stack=False)
예제 #9
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 def setUp(self):
     with open(
             os.path.join(PymatgenTest.TEST_FILES_DIR,
                          "NaCl_complete_ph_dos.json")) as f:
         self.dos = CompletePhononDos.from_dict(json.load(f))
         self.plotter = ThermoPlotter(self.dos, self.dos.structure)