io

A package containing classes and functions to handle input and output of molecular dynamics simulations.

Submodules

• api
• base
• box_reader
• box_writer
• conversion_api
• energy_file_reader
• exceptions
• formats
• info_file_reader
• moldescriptor_reader
• optimizer_file_reader
• write_api

Subpackages

• io.gen_file
• io.input_file_reader
• io.nep
• io.restart_file
• io.topology_file
• io.traj_file
• io.virial