diff --git a/parser/parser-lib-atoms/libAtomsParser.py b/parser/parser-lib-atoms/libAtomsParser.py index f94c19effd970ffd60c36869112c0c355c9d0ace..e442cfbbd810a28ad3a6a26ba70a03484c39d684 100644 --- a/parser/parser-lib-atoms/libAtomsParser.py +++ b/parser/parser-lib-atoms/libAtomsParser.py @@ -125,6 +125,12 @@ def parse(output_file_name): if frame.has_config_type: push_value(jbe, frame.config_type, 'x_lib_atoms_config_type') pass + + # FRAME SEQUENCE + with open_section(jbe, 'section_frame_sequence'): + push_value(jbe, len(all_frames), 'number_of_frames_in_sequence') + refs_config = np.array(refs_single_configuration) + push_array_values(jbe, refs_config, 'frame_sequence_local_frames_ref') # GAP DESCRIPTION if gap.has_gap_data: