API

Environ exposes an API that can be used by host programs to integrate Environ into their calculations. This can be achieved by importing the environ instance of the API from environ_api as follows:

USE environ_api, ONLY: environ

The following links describe the API’s exposed objects and methods accessible via the environ instance:

• Objects
  • setup
  • main
  • calc
  • clean
• Methods
  • init_interface
  • init_io
  • read_input
  • destroy
  • update_cell
  • update_electrons
  • get_verbosity
  • calc_potential