forked from lijiext/lammps
997f7a8845
|
||
|---|---|---|
| .. | ||
| README | ||
| __init__.py | ||
| atoms.py | ||
| barostats.py | ||
| beads.py | ||
| cell.py | ||
| ensembles.py | ||
| forces.py | ||
| initializer.py | ||
| normalmodes.py | ||
| outputs.py | ||
| properties.py | ||
| simulation.py | ||
| thermostats.py | ||
README
-- Engine code directory --
* This is the directory containing all the major class definitions.
* Files:
- atoms.py: Deals with classical simulations.
- barostats.py: Deals with constant pressure simulations.
- beads.py: Deals with quantum simulations.
- cell.py: Deals with the simulation box.
- ensembles.py: Deals with the different ensembles.
- forces.py: Deals with creating the jobs to send to the driver code.
- initializer.py: Deals with initialization of the simulation.
- normalmodes.py: Deals with the normal mode transformations.
- outputs.py: Deals with the output files.
- properties.py: Deals with calculating all the output properties.
- simulation.py: Deals with all the top level information, such as
input/output.
- thermostats.py: Deals with constant temperature simulations.