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Commit 039ed6cb authored by Markus Scheidgen's avatar Markus Scheidgen
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Fixed wrong units.

parent 190b1dc1
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vaspparser/parser_outcar.py
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− 2
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...@@ -77,8 +77,8 @@ class MainParser(MainHierarchicalParser): ...@@ -77,8 +77,8 @@ class MainParser(MainHierarchicalParser):
def onClose_section_system(self, backend, *args, **kwargs): def onClose_section_system(self, backend, *args, **kwargs):
backend.addArrayValues('atom_labels', np.array(self.ase.get_chemical_symbols())) backend.addArrayValues('atom_labels', np.array(self.ase.get_chemical_symbols()))
backend.addArrayValues('atom_positions', self.ase.get_positions()) backend.addArrayValues('atom_positions', self.ase.get_positions() * 1e-10)
backend.addArrayValues('lattice_vectors', self.ase.get_cell()) backend.addArrayValues('lattice_vectors', self.ase.get_cell() * 1e-10)
backend.addArrayValues('configuration_periodic_dimensions', self.ase.get_pbc()) backend.addArrayValues('configuration_periodic_dimensions', self.ase.get_pbc())
def onClose_section_run(self, backend, *args, **kwargs): def onClose_section_run(self, backend, *args, **kwargs):
......
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