forked from lijiext/lammps
997f7a8845 | ||
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.. | ||
README | ||
__init__.py | ||
atoms.py | ||
barostats.py | ||
beads.py | ||
cell.py | ||
ensembles.py | ||
forces.py | ||
initializer.py | ||
interface.py | ||
normalmodes.py | ||
outputs.py | ||
prng.py | ||
simulation.py | ||
thermostats.py |
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.