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Commit ed9c2727 authored by Mohamed, Fawzi Roberto (fawzi)'s avatar Mohamed, Fawzi Roberto (fawzi)
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more renames from web_public

parent 326e4d61
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...@@ -206,8 +206,8 @@ def parse(output_file_name): ...@@ -206,8 +206,8 @@ def parse(output_file_name):
refs_system_description.append(gid) refs_system_description.append(gid)
# Configuration core # Configuration core
atom_labels = np.array([ atom['atom_name'].As() for atom in frame.atoms ]) atom_labels = np.array([ atom['atom_name'].As() for atom in frame.atoms ])
push_array_values(jbe, atom_labels, 'atom_label') push_array_values(jbe, atom_labels, 'atom_labels')
push_array_values(jbe, frame.position_matrix, 'atom_position') push_array_values(jbe, frame.position_matrix, 'atom_positions')
push_array_values(jbe, frame.box_matrix, 'simulation_cell') push_array_values(jbe, frame.box_matrix, 'simulation_cell')
push_array_values(jbe, frame.pbc_booleans, 'configuration_periodic_dimensions') push_array_values(jbe, frame.pbc_booleans, 'configuration_periodic_dimensions')
if frame.has_velocities: if frame.has_velocities:
......
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