Python CompletePhononDos.from_dict Exemples

Exemple #1

 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

Exemple #2

Fichier : test_plotter.py Projet : CompRhys/pymatgen

 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)

Exemple #3

Fichier : test_dos.py Projet : CompRhys/pymatgen

 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

Exemple #4

 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)

Exemple #5

 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)

Exemple #6

Fichier : test_dos.py Projet : 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))

Exemple #7

Fichier : test_plotter.py Projet : ExpHP/pymatgen

 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)

Exemple #8

Fichier : test_plotter.py Projet : ExpHP/pymatgen

 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)

Exemple #9

Fichier : test_plotter.py Projet : CompRhys/pymatgen

 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)