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ipi

README
__init__.py
engine/
inputs/
interfaces/
tests/
utils/

README

    • Source code directory --
  • This is the main source directory.
  • Files:
    • i-pi: Runs the simulation.
  • Directories:
    • engine: Holds the modules containing the objects used during the simulation.
    • interfaces: Holds the modules containing the socket interface code.
    • utils: Holds the modules containing utility functions.
    • inputs: Holds the modules that deals with reading the input and the restart mechanism.
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