lammps/tools/i-pi/ipi/README

15 lines
449 B
Plaintext

-- 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.