str_list contains the location of reference calculation data. The format is described below:

[ structure_type_1 ]
/location/of/calculation/data/oneshot_output_file :
/location/of/calculation/data/MDtrajectory_output_file 100:2000:20

[ structure_type_2 : 3.0 ]
/location/of/calculation/data/same_folder_format{1..10}/oneshot_output_file :

You can use the format of braceexpand to set a path to reference file (like last line). The part which is written after the path indicates the index of snapshots. (format is ‘start:end:interval’. ‘:’ means all snapshots.) You can group structures like above for convenience ([ structure_group_name ] above the pathes of reference file). If print_structure_rmse is true, RMSEs for each structure type are also prited in LOG file. In addition, you can set the weights for each structure type ([ structure_group_name : weights ], default: 1.0).