Latest working version.

Dipolar Gas Simulator/+Scripts/test.m

@@ -28,11 +28,10 @@ options                               = Helper.convertstruct2cell(OptionsStruct)
 clear OptionsStruct
 
 sim  = Simulator.DipolarGas(options{:});
-calc = Simulator.Calculator(options{:});
 pot  = Simulator.Potentials(options{:});
 
 %-% Run Simulation %-%
-[Params, Transf, psi, V, VDk] = sim.runSimulation(calc);
+[Params, Transf, psi, V, VDk] = sim.runSimulation();
 
 %% - Plot numerical grid
 Plotter.visualizeSpace(Transf)

Dipolar Gas Simulator/+Simulator/@Calculator/Calculator.m

@@ -27,13 +27,23 @@ classdef Calculator < handle & matlab.mixin.Copyable
     
     methods
         function this  = Calculator(varargin)
+            
+            p = inputParser;
+            p.KeepUnmatched = true;
+            addParameter(p, 'CutoffType', this.CalculatorDefaults.CutoffType,... 
+                @(x) any(strcmpi(x,{'Cylindrical','CylindricalInfiniteZ', 'Spherical'})));
+            
+            p.parse(varargin{:});
+            
             this.ChemicalPotential             = this.CalculatorDefaults.ChemicalPotential;
             this.EnergyComponents              = this.CalculatorDefaults.EnergyComponents;
             this.NormalizedResiduals           = this.CalculatorDefaults.NormalizedResiduals;
             this.OrderParameter                = this.CalculatorDefaults.OrderParameter;
             this.PhaseCoherence                = this.CalculatorDefaults.PhaseCoherence;
             this.TotalEnergy                   = this.CalculatorDefaults.TotalEnergy;
-            this.CutoffType                 = this.CalculatorDefaults.CutoffType;
+            this.CutoffType                    = p.Results.CutoffType;
+            this.CalculatorDefaults.CutoffType = this.CutoffType;
+
         end
         
         function restoreDefaults(this)

Dipolar Gas Simulator/+Simulator/@Calculator/calculateChemicalPotential.m

@@ -1,4 +1,4 @@
-function muchem = calculateChemicalPotential(psi,Params,Transf,VDk,V)
+function muchem = calculateChemicalPotential(~,psi,Params,Transf,VDk,V)
 
     %Parameters
     normfac = Params.Lx*Params.Ly*Params.Lz/numel(psi);
@@ -26,3 +26,4 @@ Eqf = Params.gammaQF*abs(psi).^5;
     %Total energy
     muchem = Ekin + trapz(Epot(:) + Eint(:) + Eddi(:) + Eqf(:))*Transf.dx*Transf.dy*Transf.dz; %
     muchem = muchem / Params.N;
+end

Dipolar Gas Simulator/+Simulator/@Calculator/calculateEnergyComponents.m

@@ -1,4 +1,4 @@
-function E = calculateEnergyComponents(psi,Params,Transf,VDk,V)
+function E = calculateEnergyComponents(~,psi,Params,Transf,VDk,V)
 
     %Parameters
     
@@ -32,4 +32,4 @@ E.Eint = trapz(Eint(:))*Transf.dx*Transf.dy*Transf.dz;
     Eqf = 0.4*Params.gammaQF*abs(psi).^5;
     E.Eqf = trapz(Eqf(:))*Transf.dx*Transf.dy*Transf.dz;
     
-% plot(Transf.x,abs(psi(:,end/2,end/2+1)).^2)
+end

Dipolar Gas Simulator/+Simulator/@Calculator/calculateNormalizedResiduals.m

@@ -1,4 +1,4 @@
-function res = calculateNormalizedResiduals(psi,Params,Transf,VDk,V,muchem)
+function res = calculateNormalizedResiduals(~,psi,Params,Transf,VDk,V,muchem)
 
     KEop= 0.5*(Transf.KX.^2+Transf.KY.^2+Transf.KZ.^2);
     
@@ -22,3 +22,4 @@ Eqf = Params.gammaQF*abs(psi).^3.*psi;
     
     %Total energy
     res =  trapz(abs(Ekin(:) + Epot(:) + Eint(:) + Eddi(:) + Eqf(:) - muchem*psi(:))*Transf.dx*Transf.dy*Transf.dz)/trapz(abs(muchem*psi(:))*Transf.dx*Transf.dy*Transf.dz);
+end

Dipolar Gas Simulator/+Simulator/@Calculator/calculateNumericalHankelTransform.m

@@ -1,4 +1,4 @@
-function VDkSemi = calculateNumericalHankelTransform(this,kr,kz,Rmax,Zmax,Nr)
+function VDkSemi = calculateNumericalHankelTransform(~,kr,kz,Rmax,Zmax,Nr)
 
     % accuracy inputs for numerical integration
     if(nargin==5)
@@ -35,5 +35,5 @@ for krn = 1:Nkr
             igrand = igrandbasez.*besselr{krn};
             VDkSemi(krn,kzn) = VDkSemi(krn,kzn) - sum(igrand(:))*dz*dr;
         end
-
+    end
 end

Dipolar Gas Simulator/+Simulator/@Calculator/calculateOrderParameter.m

@@ -1,4 +1,4 @@
-function [m_Order] = calculateOrderParameter(psi,Transf,Params,VDk,V,T,muchem)
+function [m_Order] = calculateOrderParameter(~,psi,Transf,Params,VDk,V,T,muchem)
 
     NumRealiz = 100;
 

Dipolar Gas Simulator/+Simulator/@Calculator/calculatePhaseCoherence.m

@@ -1,4 +1,4 @@
-function [PhaseC] = calculatePhaseCoherence(psi,Transf,Params)
+function [PhaseC] = calculatePhaseCoherence(~,psi,Transf,Params)
 
     norm = sum(sum(sum(abs(psi).^2,1),2),3)*Transf.dx*Transf.dy*Transf.dz;
     psi = psi/sqrt(norm);
@@ -16,3 +16,4 @@ phi = angle(psi);
     
     avgphi = sum(sum(sum(phi.*abs(psi).^2,1),2),3)*Transf.dx*Transf.dy*Transf.dz;
     PhaseC = sum(sum(sum(abs(angle(psi)-avgphi).*abs(psi).^2)))*Transf.dx*Transf.dy*Transf.dz;
+end

Dipolar Gas Simulator/+Simulator/@Calculator/calculateTotalEnergy.m

@@ -1,4 +1,4 @@
-function E = calculateTotalEnergy(psi,Params,Transf,VDk,V)
+function E = calculateTotalEnergy(~,psi,Params,Transf,VDk,V)
 
     %Parameters
     
@@ -29,3 +29,4 @@ Eint = 0.5*Params.gs*abs(psi).^4;
     Eqf = 0.4*Params.gammaQF*abs(psi).^5;
     
     E = Ekin + trapz(Epot(:) + Eint(:) + Eddi(:) + Eqf(:))*Transf.dx*Transf.dy*Transf.dz;
+end

Dipolar Gas Simulator/+Simulator/@DipolarGas/DipolarGas.m

@@ -15,6 +15,8 @@ classdef DipolarGas < handle & matlab.mixin.Copyable
         EnergyTolerance;
         MinimumTimeStep;
         
+        Calculator;
+
         %Flags
         
         DebugMode;
@@ -46,6 +48,8 @@ classdef DipolarGas < handle & matlab.mixin.Copyable
                 @(x) assert(isnumeric(x) && isvector(x) && all(x > 0)));
             addParameter(p, 'SimulationMode', 'ImaginaryTimeEvolution',... 
                 @(x) any(strcmpi(x,{'ImaginaryTimeEvolution','RealTimeEvolution'})));
+            addParameter(p, 'CutoffType', 'Cylindrical',... 
+                @(x) any(strcmpi(x,{'Cylindrical','CylindricalInfiniteZ', 'Spherical'})));
             addParameter(p, 'TimeStep',         5E-4,...
                 @(x) assert(isnumeric(x) && isscalar(x) && (x > 0)));  
             addParameter(p, 'SimulationTime',    2e6,...
@@ -81,6 +85,8 @@ classdef DipolarGas < handle & matlab.mixin.Copyable
             this.DoSave               = p.Results.SaveData;
             this.SaveDirectory        = p.Results.SaveDirectory;
             
+            this.Calculator           = Simulator.Calculator('CutoffType', p.Results.CutoffType);
+
             switch this.SimulationMode
                 case "ImaginaryTimeEvolution" 
                 % Development In progress

Dipolar Gas Simulator/+Simulator/@DipolarGas/initialize.m

@@ -1,5 +1,4 @@
-function [psi,V,VDk] = initialize(this,calcObj,Params,Transf,TransfRad)
+function [psi,V,VDk] = initialize(this,Params,Transf,TransfRad)
-
     format long
     X = Transf.X; Y = Transf.Y; Z = Transf.Z;
     
@@ -11,12 +10,11 @@ if isfile(strcat(this.SaveDirectory, '/VDk_M.mat'))
         VDk = load(sprintf(strcat(this.SaveDirectory, '/VDk_M.mat')));
         VDk = VDk.VDk;
     else
-    VDk = calcObj.calculateVDCutoff(Params,Transf,TransfRad);
+        VDk = this.Calculator.calculateVDCutoff(Params,Transf,TransfRad);
         save(sprintf(strcat(this.SaveDirectory, '/VDk_M.mat')),'VDk');
     end
-fprintf('Computed and saved DDI potential in Fourier space with %s cutoff.', calcObj.CutoffType)
+    fprintf('Computed and saved DDI potential in Fourier space with %s cutoff.', this.Calculator.CutoffType)
     
     % == Setting up the initial wavefunction == %
     psi = this.setupWavefunction(Params,Transf);
-
 end

Dipolar Gas Simulator/+Simulator/@DipolarGas/runSimulation.m

@@ -1,4 +1,4 @@
-function [Params, Transf, psi,V,VDk] = runSimulation(this,calcObj)
+function [Params, Transf, psi,V,VDk] = runSimulation(this)
     % --- Obtain simulation parameters --- 
     [Params]    = this.setupParameters();
 
@@ -9,15 +9,15 @@ function [Params, Transf, psi,V,VDk] = runSimulation(this,calcObj)
     % --- Initialize --- 
     mkdir(sprintf(this.SaveDirectory))
     
-    [psi,V,VDk] = this.initialize(calcObj,Params,Transf,TransfRad);
+    [psi,V,VDk] = this.initialize(Params,Transf,TransfRad);
     
     Observ.EVec = []; Observ.NormVec = []; Observ.PCVec = []; Observ.tVecPlot = []; Observ.mucVec = [];
     t_idx = 1; %Start at t = 0;
     Observ.res_idx = 1;
 
     % --- Job Settings --- 
-    % njob = 6;
+    njob = 6;
-    % mkdir(sprintf('./Data/Run_%03i',njob))
+    mkdir(sprintf('./Data/Run_%03i',njob))
     
     % --- Run Simulation --- 
     % [psi] = this.solver(psi,Params,Transf,VDk,V,njob,t_idx,Observ);

Dipolar Gas Simulator/+Simulator/@DipolarGas/setupParameters.m

@@ -1,5 +1,4 @@
 function [Params] = setupParameters(this)
-
     CONSTANTS      = Helper.PhysicsConstants;
     hbar           = CONSTANTS.PlanckConstantReduced; % [J.s]
     kbol           = CONSTANTS.BoltzmannConstant;     % [J/K]

Dipolar Gas Simulator/+Simulator/@DipolarGas/setupSpaceRadial.m

@@ -1,4 +1,4 @@
-function [Transf] = setupSpaceRadial(this,Params,morder)
+function [Transf] = setupSpaceRadial(~,Params,morder)
 
     Params.Lr   = 0.5*min(Params.Lx,Params.Ly);
     Params.Nr   = max(Params.Nx,Params.Ny);
@@ -44,7 +44,6 @@ Transf.Rmax=Rmax;
     Transf.Zmax=Zmax;
     Transf.dz=z(2)-z(1);
     Transf.dkz=kz(2)-kz(1);
-%b1=Transf;
     
 function s_HT = hankelmatrix(order,rmax,Nr,eps_roots)
 %HANKEL_MATRIX: Generates data to use for Hankel Transforms

Dipolar Gas Simulator/+Simulator/@DipolarGas/setupWavefunction.m

@@ -1,4 +1,4 @@
-function [psi] = setupWavefunction(this,Params,Transf)
+function [psi] = setupWavefunction(~,Params,Transf)
 
     X = Transf.X; Y = Transf.Y; Z = Transf.Z;
     

Dipolar Gas Simulator/+Simulator/@DipolarGas/solver.m

@@ -1,5 +1,4 @@
-function [psi] = solver(this,psi,Params,Transf,VDk,V,njob,t_idx,Observ)
+function [psi] = propagate(this,psi,Params,Transf,VDk,V,njob,t_idx,Observ)
-
     set(0,'defaulttextInterpreter','latex')
     set(groot, 'defaultAxesTickLabelInterpreter','latex'); set(groot, 'defaultLegendInterpreter','latex');
     
@@ -8,7 +7,7 @@ dt=-1j*abs(this.TimeStep);
     KEop= 0.5*(Transf.KX.^2+Transf.KY.^2+Transf.KZ.^2);
     Observ.residual = 1; Observ.res = 1; 
     
-muchem = Simulator.ChemicalPotential(psi,Params,Transf,VDk,V);
+    muchem = this.Calculator.ChemicalPotential(psi,Params,Transf,VDk,V);
     AdaptIdx = 0;
     
     while t_idx < Params.cut_off
@@ -22,7 +21,7 @@ while t_idx < Params.cut_off
         Phi = real(ifftn(frho.*VDk));
         
         %Real-space
-    psi = psi.*exp(-1i*dt*(V + Params.gs*abs(psi).^2 + Params.gammaQF*abs(psi).^3 + Params.gdd*Phi - muchem));
+        psi = psi.*exp(-1i*dt*(V + Params.gs*abs(psi).^2 + Params.gdd*Phi + Params.gammaQF*abs(psi).^3 - muchem));
     
         %kin
         psi = fftn(psi);
@@ -33,12 +32,12 @@ while t_idx < Params.cut_off
         Norm = trapz(abs(psi(:)).^2)*Transf.dx*Transf.dy*Transf.dz;
         psi = sqrt(Params.N)*psi/sqrt(Norm);
     
-    muchem = Simulator.ChemicalPotential(psi,Params,Transf,VDk,V);
+        muchem = this.Calculator.ChemicalPotential(psi,Params,Transf,VDk,V);
     
         if mod(t_idx,1000) == 0        
     
             %Change in Energy
-        E = Simulator.TotalEnergy(psi,Params,Transf,VDk,V);
+            E = this.Calculator.TotalEnergy(psi,Params,Transf,VDk,V);
             E = E/Norm;
             Observ.EVec = [Observ.EVec E];
     
@@ -46,7 +45,7 @@ while t_idx < Params.cut_off
             Observ.mucVec = [Observ.mucVec muchem];
     
             %Normalized residuals
-        res = Simulator.NormalizedResiduals(psi,Params,Transf,VDk,V,muchem);
+            res = this.Calculator.NormalizedResiduals(psi,Params,Transf,VDk,V,muchem);
             Observ.residual = [Observ.residual res];
             
             Observ.res_idx = Observ.res_idx + 1;
@@ -77,12 +76,12 @@ while t_idx < Params.cut_off
     end
     
     %Change in Energy
-E = Simulator.TotalEnergy(psi,Params,Transf,VDk,V);
+    E = this.Calculator.TotalEnergy(psi,Params,Transf,VDk,V);
     E = E/Norm;
     Observ.EVec = [Observ.EVec E];
     
     % Phase coherence
-[PhaseC] = Simulator.PhaseCoherence(psi,Transf,Params);
+    [PhaseC] = this.Calculator.PhaseCoherence(psi,Transf,Params);
     Observ.PCVec = [Observ.PCVec PhaseC];
     
     Observ.res_idx = Observ.res_idx + 1;