lammps/tools/i-pi/ipi/inputs775e8f3cc8f5lammm-master
lammps/tools/i-pi/ipi/inputs
775e8f3cc8f5lammm-master
inputs
inputs
README
README
- Input files directory --
- This is the directory containing the input classes.
- Files:
- atoms.py: Creates objects that deal with classical simulations.
- barostats.py: Creates objects that deal with constant pressure and stress simulations.
- beads.py: Creates objects that deal with quantum simulations.
- cell.py: Creates objects that deal with the simulation box.
- ensembles.py: Creates objects that deal with the different ensembles.
- forces.py: Creates objects that deal with the jobs to send to the driver code.
- initializer.py: Creates the objects that deal with initializing the simulation.
- interface.py: Creates objects that deal with socket creation.
- normalmodes.py: Creates the objects that deal with the normal mode transformation.
- outputs.py: Creates objects that deal with output files.
- prng.py: Creates the objects that deal with random number generation.
- simulation.py: Creates objects that deal with all the top level information, such as input/output.
- thermostats.py: Creates objects that deal with constant temperature simulations.
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