def _readAimsStructure(geometryFile, outputFile, relaxed=True, eigenvalues=False): """ Reads in FHI-aims structure """ system = None # getting the number of atoms success, error, atomsCnt = IO.countLines(geometryFile) if not success: return success, error, system else: system = System.System(atomsCnt) # if the system is not relaxed, we need to read the atom positions from the geometry.in file if not relaxed: success, error = _read_aims_geometry(system) if not success: return success, error, system success, error = _readAimsOutput(outputFile, system, relaxed=relaxed, eigenvalues=eigenvalues) return success, error, system