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add documentation for new md code (#77)
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shinkle-lanl authored Jun 6, 2024
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5 changes: 2 additions & 3 deletions hippynn/molecular_dynamics/__init__.py
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from .md import Variable, NullUpdater, VelocityVerlet, LangevinDynamics, MolecularDynamics

"""
Molecular dynamics driver with great flexibility and customizability regarding which quantities which are evolved
and what algorithms are used to evolve them. Calls a hippynn `Predictor` on current state during each MD step.
"""
"""
from .md import Variable, NullUpdater, VelocityVerlet, LangevinDynamics, MolecularDynamics

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