Diffusion lammps (master) Browse

lammps/tools/i-pi/ipi
997f7a8845a2master

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.