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- class ABCTypeEpoxyLJHarmonicSimulation(ABCTypeEpoxySimulation):
- """Simulations class for ABCTypeEpoxySimulation where LJ is used as the
- conservative force and uses the langevin integrator.
- """
- def __init__(self,
- sim_name,
- mix_time,
- mix_kt,
- temp_prof,
- output_dir,
- AA_interaction=1.0,
- BB_interaction=1.0,
- CC_interaction=1.0,
- AB_interaction=1.0,
- AC_interaction=1.0,
- BC_interaction=1.0,
- AA_sigma=1.0,
- BB_sigma=1.0,
- CC_sigma=1.0,
- shrink_time=1e6,
- shrinkT=2.0,
- AA_alpha=1.0,
- AB_alpha=0.0,
- AC_alpha=0.0,
- BC_alpha=0.0,
- tau=0.1,
- tauP=0.2,
- P=1.0,
- integrator=cmn.Integrators.LANGEVIN.name,
- *args,
- **kwargs):
- ABCTypeEpoxySimulation.__init__(self,
- sim_name,
- mix_time,
- mix_kt,
- temp_prof,
- output_dir,
- *args,
- **kwargs)
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