Skip to content
Snippets Groups Projects
Commit 039ed6cb authored by Markus Scheidgen's avatar Markus Scheidgen
Browse files

Fixed wrong units.

parent 190b1dc1
No related branches found
No related tags found
No related merge requests found
...@@ -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):
......
0% Loading or .
You are about to add 0 people to the discussion. Proceed with caution.
Please register or to comment