Merge pull request #101 from MarcBerliner/rc_1_0_0

RC for v1.0.0

Project.toml

@@ -1,7 +1,7 @@
 name = "PETLION"
 uuid = "5e0a28e4-193c-47fa-bbb8-9c901cc1ac2c"
 authors = ["Marc D. Berliner", "Richard D. Braatz"]
-version = "0.2.6"
+version = "1.0.0"
 
 [deps]
 BSON = "fbb218c0-5317-5bc6-957e-2ee96dd4b1f0"

README.md

@@ -15,25 +15,27 @@ import Pkg; Pkg.add("PETLION")
 ```
 
 # Getting started
-To [get started](examples/getting_started.ipynb), we recommend checking out the [list of examples](examples). To simulate a simple [constant current-constant voltage (CC-CV) charge](examples/CC-CV.ipynb), run the following:
+To [get started](examples/getting_started.ipynb), we recommend checking out the [list of examples](examples). To simulate a [constant current-constant temperature-constant voltage (CC-CT-CV) fast charge](examples/fast_charging_CC-CT-CV.ipynb), run the following:
 ```julia
 using PETLION
-p = petlion(LCO)
+p = petlion(LCO; temperature=true)
 
-sol = simulate(p, I=2, SOC=0, V_max=4.1)
-simulate!(sol, p, 1800, V=:hold, I_min=1/20)
+sol = simulate(p, I=4, SOC=0, V_max=4.1, T_max=40+273.15)
+simulate!(sol, p, dT=:hold, V_max=4.1)
+simulate!(sol, p, V=:hold)
 ```
-<img src="https://raw.githubusercontent.com/MarcBerliner/PETLION.jl/master/docs/example_pictures/CCCV_I.png" width="50%"><img src="https://raw.githubusercontent.com/MarcBerliner/PETLION.jl/master/docs/example_pictures/CCCV_V.png" width="50%">
+<img src="https://raw.githubusercontent.com/MarcBerliner/PETLION.jl/master/docs/example_pictures/CC-CT-CV.png" width="100%"
 ```julia
 PETLION simulation
-  --------
-  Runs:    I → V
-  Time:    2440.61 s
-  Current: 0.1955C
-  Voltage: 4.1 V
-  Power:   23.432 W
-  SOC:     1.0001
-  Exit:    Above maximum SOC limit
+ --------
+ Runs:    I → dT → V
+ Time:    1865.61 s
+ Current: 0.1959C
+ Voltage: 4.1 V
+ Power:   23.47 W/m²
+ SOC:     1.0
+ Temp.:   25.6963 °C
+ Exit:    Above max. SOC
 ```
 
 # Credits

src/PETLION.jl

@@ -27,6 +27,7 @@ using BSON: @load, @save
 
 export simulate, simulate!
 export solution
+export final_exit_reason, exit_reasons
 
 export petlion
 export boundary_stop_conditions, options_simulation, discretizations_per_section, options_numerical
@@ -44,11 +45,11 @@ export rxn_BV, rxn_BV_γMod_01
 export rxn_MHC
 
 
+include("states_definition.jl")
 include("outputs.jl")
 include("structures.jl")
 include("params.jl")
 include("external.jl")
-include("set_variables.jl")
 include("model_evaluation.jl")
 include("generate_functions.jl")
 include("physics_equations/residuals.jl")
@@ -58,6 +59,7 @@ include("physics_equations/custom_functions.jl")
 include("physics_equations/numerical_tools.jl")
 include("physics_equations/input_methods.jl")
 include("checks.jl")
+include("save_outputs.jl")
 
 ## Backwards compatability
 Params(x...;kw...) = petlion(x...;kw...)

src/checks.jl

@@ -202,7 +202,6 @@ end
 end
 
 @inline check_stop_dfilm(::model_age{false}, run, sol, Y, YP, bounds, ϵ, I) = nothing
-@inline check_stop_dfilm(::model_age{:stress}, run, sol, Y, YP, bounds, ϵ, I) = nothing
 @inline function check_stop_dfilm(p::R4, run::R3, sol, Y::R2, YP::R2, bounds::R5, ϵ::Float64, I::Float64
     ) where {R2<:Vector{Float64}, R3<:AbstractRun, R4<:model_age{:SEI}, R5<:boundary_stop_conditions_immutable}
 
@@ -224,7 +223,7 @@ end
     return nothing
 end
 
-@inline function check_solve(run::run_constant, sol::R1, int::R2, p, bounds, opts::R5, funcs, keep_Y::Bool, iter::Int64, Y::Vector{Float64}, t::Float64) where {R1<:solution,R2<:Sundials.IDAIntegrator,R5<:AbstractOptionsModel}
+@inline function check_solve(run::Union{run_constant,run_residual}, sol::R1, int::R2, p, bounds, opts::R5, funcs, keep_Y::Bool, iter::Int64, Y::Vector{Float64}, t::Float64) where {R1<:solution,R2<:Sundials.IDAIntegrator,R5<:AbstractOptionsModel}
     if t == int.tprev
         # Sometimes the initial step at t = 0 can be too large. This reduces the step size
         if t == 0.0
@@ -356,7 +355,7 @@ end
 
     # if the function values at t vs. t + Δt are very different (i.e., there is a discontinuity)
     # then reinitialize the DAE at t + Δt
-    if !≈(value_old, value_new, atol=opts.abstol, rtol=opts.reltol)
+    if !≈(value_old, value_new; atol=opts.abstol, rtol=opts.reltol)
         initialize_states!(p,Y,YP,run,opts,funcs,(@inbounds sol.SOC[end]); t=t_new)
 
         Sundials.IDAReInit(int.mem, t_new, Y, YP)
@@ -375,18 +374,35 @@ end
     return nothing
 end
 
-function check_errors_initial(θ, numerics, N)
+@inline function check_errors_initial(θ, numerics, N)
     if numerics.jacobian ∉ (:symbolic, :AD)
         error("`jacobian` can either be :symbolic or :AD")
     end
 
     return nothing
 end
 
-check_is_hold(x::Symbol,sol::solution) = (x == :hold) && (!isempty(sol) ? true : error("Cannot use `:hold` without a previous sol."))
-check_is_hold(::Any,::solution) = false
+@inline check_is_hold(x::Symbol,sol::solution) = (x == :hold) && (!isempty(sol) ? true : error("Cannot use `:hold` without a previous simulation."))
+@inline check_is_hold(::Any,::solution) = false
 
-check_is_rest(run::run_constant{method_I, Symbol}) = run.input == :rest
-check_is_rest(::Any) = false
+@inline check_is_rest(run::run_constant{method_I, Symbol}) = run.input == :rest
+@inline check_is_rest(::Any) = false
 
-check_is_half_cell(p::AbstractModel) = p.numerics.anode == lithium_foil
+@inline check_is_half_cell(p::AbstractModel) = p.numerics.anode == lithium_foil
+
+@inline function final_exit_reason(sol::solution)
+    ```
+    Return the final exit reason as a string
+    ```
+    @assert !isempty(sol)
+
+    return @inbounds sol.results[end].run.info.exit_reason
+end
+@inline function exit_reasons(sol::solution)
+    ```
+    Return the list of exit reasons as a vector of strings
+    ```
+    @assert !isempty(sol)
+
+    return String[result.run.info.exit_reason for result in sol.results]
+end