I/O: Read

This module contains functions for reading files.

The simplest interface is provided by the read function, which tries to infer the file type from the file name or extension.

Example

>>> from tad_mctc.io import read
>>> path = "mol.xyz"
>>> numbers, positions = read.read(path)

• I/O Read: CHRG/UHF
• read_chrg()
• read_spin()
• read_uhf()
• I/O Read: From Path
• create_path_reader()
• create_path_reader_dotfiles()
• I/O Read: ORCA
• read_orca_engrad()
• I/O Read: JSON
• read_qcschema()
• I/O Read: General
• read()
• I/O Read: tblite
• read_tblite_engrad()
• I/O Read: Turbomole
• read_coord()
• read_turbomole()
• read_turbomole_energy()
• I/O Read: XYZ
• read_xyz()
• read_xyz_qm9()