improve parameter handling in pramp

Author: j-fu

notebooks/HalfCellAppliedPotential.jl

@@ -94,7 +94,7 @@ p1 = let
     fig, ax = pyplot.subplots(1, 1)
     fig.set_size_inches(600 / 100, 300 / 100)
     κ = 10
-    ax.set_title("Double layer capacitance, κ=$(κ)\n Dashed: without dielectric decrement")
+    ax.set_title("Double layer capacitance, κ=$(κ)\n Dashed: witghout dielectric decrement")
     set_κ!(halfcell, κ)
     set_κ!(halfcelldd, κ)
     for i in 1:length(molarities)

notebooks/ICMPBP-DD-Draft.jl

@@ -246,12 +246,13 @@ end;
 # ╔═╡ 2ef6b8d7-e5f3-4700-8a40-8feffab3569f
 floataside(
     md"""
-    - ``L/nm``: $(@bind L0 PlutoUI.Slider(2:1:10, default=10, show_value=true))		   
+     - ``L/nm``: $(@bind L0 PlutoUI.Slider(2:1:10, default=10, show_value=true))		   
     - ``M_{avg}/(mol/dm^3)``:  $(@bind M1_avg PlutoUI.Slider(0.1:0.1:2, default=1, show_value=true))
     - ``n_e/(e/nm^2)``: $(@bind n1_e PlutoUI.Slider(0:0.5:5, default=1, show_value=true))
     - ``κ``: $(@bind kappa1 PlutoUI.Slider(0:1:20, default=10, show_value=true))
-      ``M_{scale}/(mol/dm^3)``: $(@bind Mscale PlutoUI.Slider(5:5:60, default=60, show_value=true))
-    """, top = 100
+    - dielectric decrement: $(@bind dd PlutoUI.CheckBox())
+    -``M_{scale}/(mol/dm^3)``: $(@bind Mscale PlutoUI.Slider(5:5:60, default=60, show_value=true))
+        """, top = 100
 )
 
 
@@ -262,7 +263,7 @@ begin
     )
     set_molarity!(data1, M1_avg)
     data1.conserveions = true
-    data1.χvar = true
+    data1.χvar = dd
 end
 
 # ╔═╡ f8c1c2bd-7466-491e-9132-4f15edcfa4c7
@@ -355,10 +356,10 @@ end
 begin
     Q = surfcharge(n1_e)
     sol1 = inival1
-	pramp(p=(0,Q)) do q
+    pramp(; p = (0, Q), h = Q / 2, verbose = true) do q
         data1.q .= [-q, q]
-        global sol1 = solve(sys1; inival = sol1, verbose = "")
-	end
+        sol1 = solve(sys1; inival = sol1, damp_initial = 0.1, max_round = 4, verbose = "")
+    end
 end
 
 # ╔═╡ 5f153fe4-4476-401e-8674-b6902213c19e
@@ -372,6 +373,9 @@ plotsol(sol1, sys1; Mscale)
 # ╔═╡ 0e4ec7f0-0aa8-4a32-96a3-40f63f32a12d
 sol1
 
+# ╔═╡ 8d9d737c-0fbe-4664-afac-afa7d5e5fc4e
+Q
+
 # ╔═╡ 7d7ebb45-2fb3-40ea-83f2-62d0a240b2db
 @test isa(sol1, AbstractMatrix)
 
@@ -393,11 +397,12 @@ sol1
 # ╠═eacdd772-1869-406a-b601-64cdd6453ec1
 # ╟─760e5861-7a6f-41bb-8aec-5e7466c6ec9f
 # ╠═f4facb34-1f4a-432d-8a1e-30299e542bcd
-# ╟─2ef6b8d7-e5f3-4700-8a40-8feffab3569f
+# ╠═2ef6b8d7-e5f3-4700-8a40-8feffab3569f
 # ╠═a629e8a1-b1d7-42d8-8c17-43475785218e
 # ╠═ae11bded-9f67-4004-8786-ed54e1ccb932
 # ╠═8433319f-2f78-494c-9b2e-a5390cf93b00
 # ╠═70910bd5-b8ca-4021-9b40-233b50ea5601
+# ╠═8d9d737c-0fbe-4664-afac-afa7d5e5fc4e
 # ╠═0eb0bbce-6f1c-4b7d-9df7-a375d30f5c99
 # ╠═7d7ebb45-2fb3-40ea-83f2-62d0a240b2db
 # ╠═f8c1c2bd-7466-491e-9132-4f15edcfa4c7

packages/JuliaMPBSolver/src/cells.jl

@@ -108,7 +108,8 @@ function dlcapsweep(
     hmax = φ_max / steps
     for dir in [-1, 1]
         sol = sol0
-        pramp(; p = (0, φ_max), hmax, verbose = true) do φ
+        pramp(; p = (0, φ_max), h = hmax, hmax, verbose = true) do φ
+
             set_φ!(cell, dir * φ)
             sol = solve(cell; inival = sol, damp_initial, kwargs...)
             Q = calc_spacecharge(cell.sys, sol)

packages/JuliaMPBSolver/src/pramp.jl

@@ -18,7 +18,7 @@ function pramp(
         f;
         p = [0, 1],
         hmin = (p[end] - p[begin]) / 1000,
-        hmax = (p[end] - p[begin]) / 10,
+        hmax = p[end] - p[begin],
         h = hmax,
         hgrow = 1.2,
         hdegrow = 0.5,
@@ -36,14 +36,25 @@ function pramp(
             end
             f(ptrial)
             if verbose
-                println("pramp - success: p=$(pcurrent), h=$(h)")
+                if first
+                    println("pramp - success: p=$(pcurrent)")
+                else
+                    println("pramp - success: p=$(pcurrent) + $(h)")
+                end
             end
             pcurrent = ptrial
-            h = min(h * hgrow, hmax)
-            first = false
+            if first
+                first = false
+            else
+                h = min(h * hgrow, hmax)
+            end
         catch e
             if verbose
-                println("pramp - error: p=$(pcurrent), h=$(h)")
+                if first
+                    println("pramp - error: p=$(pcurrent)")
+                else
+                    println("pramp - error: p=$(pcurrent) + $(h)")
+                end
             end
             h = h * hdegrow
             if h < hmin || first