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Draft: Combine multiple ElectronicFrictionProvider
s (or Model
s) into a single model.
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A CompositeModel combines multiple models assigned to determine parts of the total system, e.g. different friction processes for different parts of the system. The Subsystem type is the building block of a CompositeModel, combining an arbitrary NQCModels.Model with indices determining which particles in the system it applies to.
This is so they are included as possible inputs for a Subsystem.
Or not Another try Debug Tried to break the stack overflow
Need to call friction! and derivative! for subsystems and full R I am very confused
This was referenced Jul 22, 2024
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Phonon thermostatting in NQCD
Implements MDEF + 2TM with Phonon coupling (NQCD/NQCDynamics.jl#73) by introducing
Subsystem
s, which apply aModel
exclusively to certain atoms in aSimulation
. These can be combined arbitrarily forModel
types implementingpotential
,derivative
orfriction
.The changes to
Simulation
s in NQCD/NQCDynamics.jl#349 allow the use of different temperatures (either a constant value or function) for each atom by usingThermostat
s, which behave like aSubsystem
, applying a temperature to parts of aSimulation
.ToDo