io

High level Structure and Trajectory I/O. HDF5 convenience IO functions.

Ha	Convert a string or number to a floating point number, if possible.
ReadFactory([parser, struct_or_traj, doc])	Factory class to construct callables to parse files.
eV	Convert a string or number to a floating point number, if possible.
load_h5(*args, **kwds)	Alias for read_h5().
read_cif	Read Cif files.
read_cp2k_md	Read CP2K MD run ouput (all text).
read_cp2k_md_dcd	Read CP2K MD run ouput (coordinates in dcd binary format).
read_cp2k_relax	Read CP2K relaxation run ouput (all text).
read_cp2k_scf	Read CP2K SCF (single point) run ouput.
read_cpmd_md	Read CPMD MD (fixed and variable cell, BO and CP) run ouput.
read_cpmd_scf	Read CPMD SCF (single point) run ouput.
read_h5(fn)	Read h5 file into dict.
read_lammps_md_dcd	Read LAMMPS MD run ouput (coordinates in dcd format).
read_lammps_md_txt	Read LAMMPS MD run ouput (all text).
read_pdb	Read PDB files.
read_pickle(filename)	Load object written by pickle.dump(), e.g. files written by dump().
read_pw_md	Read Pwscf md/relax/vc-relax run ouput.
read_pw_scf	Read Pwscf SCF run ouput.
read_pw_vcmd	Read Pwscf vc-md run ouput.
wien_sgroup_input(struct[, lat_symbol])	Generate input for WIEN2K's sgroup symmetry analysis tool.
write_axsf(filename, obj)	Write animated XSF file for Structure (only 1 step) or Trajectory.
write_cif(filename, struct)	Q'n'D Cif writer.
write_h5(fn, dct, **kwds)	Write dictionary with arrays (or whatever HDF5 handles) to h5 file.
write_lammps(filename, struct[, symbolsbasename])	Write Structure object to lammps format.
write_wien_sgroup(filename, struct, **kwds)	Write struct to input file for WIEN2K's sgroup symmetry analysis tool.
write_xyz(filename, obj[, name])	Write VMD-style [VMD] XYZ file.