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CHANGELOG.md

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Unreleased

Features

  • Added the gradient operation for the Finite Element Method (#767)
  • Added InputParameter node for quickly changing parameter values (#752)
  • Added submodels for operating modes other than current-controlled (#751)
  • Changed finite volume discretisation to use exact values provided by Neumann boundary conditions when computing the gradient instead of adding ghost nodes(#748)
  • Added optional R(x) distribution in particle models (#745)
  • Generalized importing of external variables (#728)
  • Separated active and inactive material volume fractions (#726)
  • Added submodels for tortuosity (#726)
  • Simplified the interface for setting current functions (#723)
  • Added Heaviside operator (#723)
  • New extrapolation methods (#707)
  • Added some "Getting Started" documentation (#703)
  • Allow abs tolerance to be set by variable for IDA KLU solver (#700)
  • Added Simulation class (#693) with load/save functionality (#732)
  • Added interface to CasADi solver (#687, #691, #714). This makes the SUNDIALS DAE solvers (Scikits and KLU) truly optional (though IDA KLU is recommended for solving the DFN).
  • Added option to use CasADi's Algorithmic Differentiation framework to calculate Jacobians (#687)
  • Added method to evaluate parameters more easily (#669)
  • Added Jacobian class to reuse known Jacobians of expressions (#665)
  • Added Interpolant class to interpolate experimental data (e.g. OCP curves) (#661)
  • Added interface (via pybind11) to sundials with the IDA KLU sparse linear solver (#657)
  • Allowed parameters to be set by material or by specifying a particular paper (#647)
  • Set relative and absolute tolerances independently in solvers (#645)
  • Added basic method to allow (a part of) the State Vector to be updated with results obtained from another solution or package (#624)
  • Added some non-uniform meshes in 1D and 2D (#617)

Optimizations

  • Added an option to skip model checks during discretisation, which could be slow for large models (#739)
  • Use CasADi's automatic differentation algorithms by default when solving a model (#714)
  • Avoid re-checking size when making a copy of an Index object (#656)
  • Avoid recalculating _evaluation_array when making a copy of a StateVector object (#653)

Bug fixes

  • Fixed a bug which meant that the Ohmic heating in the current collectors was incorrect if using the Finite Element Method (#767)
  • Improved automatic broadcasting (#747)
  • Fixed bug with wrong temperature in initial conditions (#737)
  • Improved flexibility of parameter values so that parameters (such as diffusivity or current) can be set as functions or scalars (#723)
  • Fixed a bug where boundary conditions were sometimes handled incorrectly in 1+1D models (#713)
  • Corrected a sign error in Dirichlet boundary conditions in the Finite Element Method (#706)
  • Passed the correct dimensional temperature to open circuit potential (#702)
  • Added missing temperature dependence in electrolyte and interface submodels (#698)
  • Fixed differentiation of functions that have more than one argument (#687)
  • Added warning if ProcessedVariable is called outside its interpolation range (#681)
  • Improved the way ProcessedVariable objects are created in higher dimensions (#581)

Breaking changes

  • Moved results to separate repositories (#761)
  • The parameters "Bruggeman coefficient" must now be specified separately as "Bruggeman coefficient (electrolyte)" and "Bruggeman coefficient (electrode)"
  • The current classes (GetConstantCurrent, GetUserCurrent and GetUserData) have now been removed. Please refer to the change-input-current notebook for information on how to specify an input current
  • Parameter functions must now use pybamm functions instead of numpy functions (e.g. pybamm.exp instead of numpy.exp), as these are then used to construct the expression tree directly. Generally, pybamm syntax follows numpy syntax; please get in touch if a function you need is missing.
  • The current must now be updated by changing "Current function [A]" or "C-rate" instead of "Typical current [A]"

v0.1.0 - 2019-10-08

This is the first official version of PyBaMM. Please note that PyBaMM in still under active development, and so the API may change in the future.

Features

Models

Lithium-ion

  • Single Particle Model (SPM)
  • Single Particle Model with electrolyte (SPMe)
  • Doyle-Fuller-Newman (DFN) model

with the following optional physics:

  • Thermal effects
  • Fast diffusion in particles
  • 2+1D (pouch cell)

Lead-acid

  • Leading-Order Quasi-Static model
  • First-Order Quasi-Static model
  • Composite model
  • Full model

with the following optional physics:

  • Hydrolysis side reaction
  • Capacitance effects
  • 2+1D

Spatial discretisations

  • Finite Volume (1D only)
  • Finite Element (scikit, 2D only)

Solvers

  • Scipy
  • Scikits ODE
  • Scikits DAE
  • IDA KLU sparse linear solver (Sundials)
  • Algebraic (root-finding)