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relentless

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  • API reference

Site Navigation

  • User guide
  • API reference

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Basic

  • Model (relentless.model)
    • relentless.model.Ensemble
    • relentless.model.RDF
    • relentless.model.TriclinicBox
    • relentless.model.Cuboid
    • relentless.model.Cube
    • relentless.model.ObliqueArea
    • relentless.model.Rectangle
    • relentless.model.Square
    • relentless.model.IndependentVariable
    • relentless.model.DependentVariable
    • relentless.model.ArithmeticMean
    • relentless.model.GeometricMean
    • relentless.model.Extent
    • relentless.model.Area
    • relentless.model.Volume
    • relentless.model.Variable
    • relentless.model.Constant
    • relentless.model.variable.VariableGraph
  • Potentials (relentless.model.potential)
    • relentless.model.potential.Depletion
    • relentless.model.potential.LennardJones
    • relentless.model.potential.PairSpline
    • relentless.model.potential.Yukawa
    • relentless.model.potential.Potential
    • relentless.model.potential.Parameters
    • relentless.model.potential.PairPotential
    • relentless.model.potential.PairParameters
  • Simulations (relentless.simulate)
    • relentless.simulate.Dilute
    • relentless.simulate.HOOMD
    • relentless.simulate.LAMMPS
    • relentless.simulate.InitializeFromFile
    • relentless.simulate.InitializeRandomly
    • relentless.simulate.RunMolecularDynamics
    • relentless.simulate.BerendsenThermostat
    • relentless.simulate.NoseHooverThermostat
    • relentless.simulate.BerendsenBarostat
    • relentless.simulate.MTKBarostat
    • relentless.simulate.MinimizeEnergy
    • relentless.simulate.RunBrownianDynamics
    • relentless.simulate.RunLangevinDynamics
    • relentless.simulate.EnsembleAverage
    • relentless.simulate.Record
    • relentless.simulate.WriteTrajectory
    • relentless.simulate.SimulationInstance
    • relentless.simulate.Potentials
    • relentless.simulate.PotentialTabulator
    • relentless.simulate.PairPotentialTabulator
    • relentless.simulate.Simulation
    • relentless.simulate.SimulationOperation
    • relentless.simulate.AnalysisOperation
    • relentless.simulate.Barostat
    • relentless.simulate.Thermostat
  • Optimization (relentless.optimize)
    • relentless.optimize.RelativeEntropy
    • relentless.optimize.SteepestDescent
    • relentless.optimize.FixedStepDescent
    • relentless.optimize.LineSearch
    • relentless.optimize.Tolerance
    • relentless.optimize.ValueTest
    • relentless.optimize.GradientTest
    • relentless.optimize.AllTest
    • relentless.optimize.AndTest
    • relentless.optimize.AnyTest
    • relentless.optimize.OrTest
    • relentless.optimize.ObjectiveFunction
    • relentless.optimize.ObjectiveFunctionResult
    • relentless.optimize.Optimizer
    • relentless.optimize.ConvergenceTest
    • relentless.optimize.LogicTest

Advanced

  • Collections (relentless.collections)
    • relentless.collections.DefaultDict
    • relentless.collections.FixedKeyDict
    • relentless.collections.PairMatrix
  • Data management (relentless.data)
    • relentless.data.Directory
  • Math functions (relentless.math)
    • relentless.math.Interpolator
    • relentless.math.AkimaSpline
    • relentless.math.KeyedArray
  • MPI communication (relentless.mpi)
    • relentless.mpi.Communicator
  • API reference
  • Math functions (relentless.math)

Math functions (relentless.math)#

Interpolator(x, y)

Interpolating function.

AkimaSpline(x, y)

Interpolate using Akima splines.

KeyedArray(keys[, default])

Numerical array with fixed keys.

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