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Latest version with bug fixes, aesthetic changes.

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Karthik 2025-03-27 11:03:28 +01:00
parent 88f2554b8e
commit d97d68cc97
10 changed files with 119 additions and 85 deletions
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90
Dipolar-Gas-Simulator/+Plotter/visualizeGSWavefunction.m
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@ -3,6 +3,9 @@ function visualizeGSWavefunction(folder_path, run_index)
set(0,'defaulttextInterpreter','latex')
set(groot, 'defaultAxesTickLabelInterpreter','latex'); set(groot, 'defaultLegendInterpreter','latex');
format long
% Load data
Data = load(sprintf(horzcat(folder_path, '/Run_%03i/psi_gs.mat'),run_index),'psi','Params','Transf','Observ');
@ -21,66 +24,73 @@ function visualizeGSWavefunction(folder_path, run_index)
Observ.residual = Data.Observ.residual;
end
format long
x = Transf.x*Params.l0*1e6;
y = Transf.y*Params.l0*1e6;
z = Transf.z*Params.l0*1e6;
dx = x(2)-x(1); dy = y(2)-y(1); dz = z(2)-z(1);
% Axes scaling and coordinates in micrometers
x = Transf.x * Params.l0 * 1e6;
y = Transf.y * Params.l0 * 1e6;
z = Transf.z * Params.l0 * 1e6;
%Plotting
figure('Position', [100, 100, 1600, 900]);
clf
dx = x(2)-x(1); dy = y(2)-y(1); dz = z(2)-z(1);
% Subplot 1
% subplot(2,3,1)
subplot('Position', [0.05, 0.55, 0.28, 0.4])
% Compute probability density |psi|^2
n = abs(psi).^2;
%Plotting
figure(1);
clf
set(gcf,'Position', [100, 100, 1600, 900])
t = tiledlayout(2, 3, 'TileSpacing', 'compact', 'Padding', 'compact'); % 2x3 grid
nexttile;
nxz = squeeze(trapz(n*dy,2));
nyz = squeeze(trapz(n*dx,1));
nxy = squeeze(trapz(n*dz,3));
plotxz = pcolor(x,z,nxz');
set(plotxz, 'EdgeColor', 'none');
colorbar
xlabel('$x$ [$\mu$m]', 'FontSize', 14); ylabel('$z$ [$\mu$m]', 'FontSize', 14);
title('$|\Psi_{zx}|^2$', 'FontSize', 14);
% Subplot 2
% subplot(2,3,2)
subplot('Position', [0.36, 0.55, 0.28, 0.4])
cbar1 = colorbar;
cbar1.Label.Interpreter = 'latex';
% cbar1.Ticks = []; % Disable the ticks
colormap(gca, Helper.Colormaps.plasma())
xlabel('$x$ ($\mu$m)', 'Interpreter', 'latex', 'FontSize', 14)
ylabel('$z$ ($\mu$m)', 'Interpreter', 'latex', 'FontSize', 14)
title('$|\Psi(x,z)|^2$', 'Interpreter', 'latex', 'FontSize', 14)
nexttile;
plotyz = pcolor(y,z,nyz');
set(plotyz, 'EdgeColor', 'none');
colorbar
xlabel('$y$ [$\mu$m]', 'FontSize', 14); ylabel('$z$ [$\mu$m]', 'FontSize', 14);
title('$|\Psi_{zy}|^2$', 'FontSize', 14);
% Subplot 3
% subplot(2,3,3)
subplot('Position', [0.67, 0.55, 0.28, 0.4]);
cbar1 = colorbar;
cbar1.Label.Interpreter = 'latex';
% cbar1.Ticks = []; % Disable the ticks
colormap(gca, Helper.Colormaps.plasma())
xlabel('$y$ ($\mu$m)', 'Interpreter', 'latex', 'FontSize', 14)
ylabel('$z$ ($\mu$m)', 'Interpreter', 'latex', 'FontSize', 14)
title('$|\Psi(y,z)|^2$', 'Interpreter', 'latex', 'FontSize', 14)
nexttile;
plotxy = pcolor(x,y,nxy');
set(plotxy, 'EdgeColor', 'none');
colorbar
xlabel('$x$ [$\mu$m]', 'FontSize', 14); ylabel('$y$ [$\mu$m]', 'FontSize', 14);
title('$ |\Psi_{xy}|^2$', 'FontSize', 14);
cbar1 = colorbar;
cbar1.Label.Interpreter = 'latex';
% cbar1.Ticks = []; % Disable the ticks
colormap(gca, Helper.Colormaps.plasma())
xlabel('$x$ ($\mu$m)', 'Interpreter', 'latex', 'FontSize', 14)
ylabel('$y$ ($\mu$m)', 'Interpreter', 'latex', 'FontSize', 14)
title('$|\Psi(x,y)|^2$', 'Interpreter', 'latex', 'FontSize', 14)
% Subplot 4
% subplot(2,3,4)
subplot('Position', [0.05, 0.05, 0.26, 0.4]);
nexttile;
plot(-log10(Observ.residual),'-b')
ylabel('$-\mathrm{log}_{10}(r)$', 'FontSize', 14); xlabel('Time steps', 'FontSize', 14);
title('Residual', 'FontSize', 14);
% Subplot 5
% subplot(2, 3, 5);
subplot('Position', [0.36, 0.05, 0.26, 0.4]);
grid on
nexttile;
plot(Observ.EVec,'-b')
ylabel('$E$', 'FontSize', 14); xlabel('Time steps', 'FontSize', 14);
ylabel('$E_{tot}$', 'FontSize', 14); xlabel('Time steps', 'FontSize', 14);
title('Total Energy', 'FontSize', 14);
grid on
% Subplot 6
% subplot(2, 3, 6);
subplot('Position', [0.67, 0.05, 0.26, 0.4]);
nexttile;
plot(Observ.mucVec,'-b')
ylabel('$\mu$', 'FontSize', 14); xlabel('Time steps', 'FontSize', 14);
title('Chemical Potential', 'FontSize', 14);
grid on
end

15
Dipolar-Gas-Simulator/+Scripts/run_locally.m
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@ -9,24 +9,25 @@ OptionsStruct = struct;
OptionsStruct.NumberOfAtoms = 5E5;
OptionsStruct.DipolarPolarAngle = deg2rad(0);
OptionsStruct.DipolarAzimuthAngle = 0;
OptionsStruct.ScatteringLength = 85;
OptionsStruct.ScatteringLength = 88.5;
AspectRatio = 2.8;
AspectRatio = 2.0;
HorizontalTrapFrequency = 125;
VerticalTrapFrequency = AspectRatio * HorizontalTrapFrequency;
OptionsStruct.TrapFrequencies = [HorizontalTrapFrequency, HorizontalTrapFrequency, VerticalTrapFrequency];
OptionsStruct.TrapPotentialType = 'Harmonic';
OptionsStruct.NumberOfGridPoints = [256, 256, 128];
OptionsStruct.Dimensions = [30, 30, 15];
OptionsStruct.NumberOfGridPoints = [64, 64, 32];
OptionsStruct.Dimensions = [18, 18, 18];
OptionsStruct.IncludeDDICutOff = true;
OptionsStruct.CutoffType = 'Cylindrical';
OptionsStruct.SimulationMode = 'ImaginaryTimeEvolution'; % 'ImaginaryTimeEvolution' | 'RealTimeEvolution'
OptionsStruct.TimeStepSize = 0.001; % in s
OptionsStruct.MinimumTimeStepSize = 1E-6; % in s
OptionsStruct.MinimumTimeStepSize = 1E-5; % in s
OptionsStruct.TimeCutOff = 1E6; % in s
OptionsStruct.EnergyTolerance = 5E-10;
OptionsStruct.ResidualTolerance = 1E-05;
OptionsStruct.NoiseScaleFactor = 0.05;
OptionsStruct.NoiseScaleFactor = 0.01;
OptionsStruct.PlotLive = true;
OptionsStruct.JobNumber = 0;
@ -50,7 +51,7 @@ Plotter.visualizeTrapPotential(sim.Potential,Params,Transf)
%% - Plot initial wavefunction
Plotter.visualizeWavefunction(psi,Params,Transf)
%% - Plot GS wavefunction
SaveDirectory = './Results/Data_3D/AspectRatio2_8';
SaveDirectory = './Results/Data_3D/AspectRatio3_7';
JobNumber = 0;
Plotter.visualizeGSWavefunction(SaveDirectory, JobNumber)

25
Dipolar-Gas-Simulator/+Scripts/run_on_cluster.m
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@ -13,16 +13,17 @@ VerticalTrapFrequency = AspectRatio * HorizontalTrapFrequency;
OptionsStruct.TrapFrequencies = [HorizontalTrapFrequency, HorizontalTrapFrequency, VerticalTrapFrequency];
OptionsStruct.TrapPotentialType = 'Harmonic';
OptionsStruct.NumberOfGridPoints = [256, 256, 128];
OptionsStruct.Dimensions = [30, 30, 15];
OptionsStruct.NumberOfGridPoints = [128, 128, 64];
OptionsStruct.Dimensions = [18, 18, 18];
OptionsStruct.IncludeDDICutOff = true;
OptionsStruct.CutoffType = 'Cylindrical';
OptionsStruct.SimulationMode = 'ImaginaryTimeEvolution'; % 'ImaginaryTimeEvolution' | 'RealTimeEvolution'
OptionsStruct.TimeStepSize = 0.001; % in s
OptionsStruct.MinimumTimeStepSize = 1E-6; % in s
OptionsStruct.MinimumTimeStepSize = 1E-5; % in s
OptionsStruct.TimeCutOff = 1E6; % in s
OptionsStruct.EnergyTolerance = 5E-10;
OptionsStruct.ResidualTolerance = 1E-05;
OptionsStruct.NoiseScaleFactor = 0.05;
OptionsStruct.NoiseScaleFactor = 0.01;
OptionsStruct.PlotLive = false;
OptionsStruct.JobNumber = 0;
@ -34,7 +35,7 @@ clear OptionsStruct
sim = Simulator.DipolarGas(options{:});
pot = Simulator.Potentials(options{:});
sim.Potential = pot.trap(); % + pot.repulsive_chopstick();
sim.Potential = pot.trap();
%-% Run Simulation %-%
[Params, Transf, psi, V, VDk] = sim.run();
@ -54,16 +55,17 @@ VerticalTrapFrequency = AspectRatio * HorizontalTrapFrequency;
OptionsStruct.TrapFrequencies = [HorizontalTrapFrequency, HorizontalTrapFrequency, VerticalTrapFrequency];
OptionsStruct.TrapPotentialType = 'Harmonic';
OptionsStruct.NumberOfGridPoints = [256, 256, 128];
OptionsStruct.Dimensions = [30, 30, 15];
OptionsStruct.NumberOfGridPoints = [128, 128, 64];
OptionsStruct.Dimensions = [18, 18, 18];
OptionsStruct.IncludeDDICutOff = true;
OptionsStruct.CutoffType = 'Cylindrical';
OptionsStruct.SimulationMode = 'ImaginaryTimeEvolution'; % 'ImaginaryTimeEvolution' | 'RealTimeEvolution'
OptionsStruct.TimeStepSize = 0.001; % in s
OptionsStruct.MinimumTimeStepSize = 1E-6; % in s
OptionsStruct.MinimumTimeStepSize = 1E-5; % in s
OptionsStruct.TimeCutOff = 1E6; % in s
OptionsStruct.EnergyTolerance = 5E-10;
OptionsStruct.ResidualTolerance = 1E-05;
OptionsStruct.NoiseScaleFactor = 0.05;
OptionsStruct.NoiseScaleFactor = 0.01;
OptionsStruct.PlotLive = false;
OptionsStruct.JobNumber = 0;
@ -75,8 +77,7 @@ clear OptionsStruct
sim = Simulator.DipolarGas(options{:});
pot = Simulator.Potentials(options{:});
sim.Potential = pot.trap(); % + pot.repulsive_chopstick();
sim.Potential = pot.trap();
%-% Run Simulation %-%
[Params, Transf, psi, V, VDk] = sim.run();
[Params, Transf, psi, V, VDk] = sim.run();

12
Dipolar-Gas-Simulator/+Simulator/@Calculator/Calculator.m
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@ -8,7 +8,7 @@ classdef Calculator < handle & matlab.mixin.Copyable
'OrderParameter', 1, ...
'PhaseCoherence', 1, ...
'TotalEnergy', 1, ...
'CutoffType', 'Cylindrical', ...
'CutOffType', 'Cylindrical', ...
'CustomCylindricalCutOffRadius', 1, ...
'CustomCylindricalCutOffHeight', 1);
@ -21,7 +21,7 @@ classdef Calculator < handle & matlab.mixin.Copyable
OrderParameter;
PhaseCoherence;
TotalEnergy;
CutoffType;
CutOffType;
CustomCylindricalCutOffRadius
CustomCylindricalCutOffHeight
end
@ -34,8 +34,8 @@ classdef Calculator < handle & matlab.mixin.Copyable
p = inputParser;
p.KeepUnmatched = true;
addParameter(p, 'CutoffType', this.CalculatorDefaults.CutoffType,...
@(x) any(strcmpi(x,{'Cylindrical','CylindricalInfiniteZ', 'Spherical', 'CustomCylindrical'})));
addParameter(p, 'CutOffType', this.CalculatorDefaults.CutOffType,...
@(x) any(strcmpi(x,{'None', 'Cylindrical','CylindricalInfiniteZ', 'Spherical', 'CustomCylindrical'})));
p.parse(varargin{:});
@ -45,7 +45,7 @@ classdef Calculator < handle & matlab.mixin.Copyable
this.OrderParameter = this.CalculatorDefaults.OrderParameter;
this.PhaseCoherence = this.CalculatorDefaults.PhaseCoherence;
this.TotalEnergy = this.CalculatorDefaults.TotalEnergy;
this.CutoffType = p.Results.CutoffType;
this.CutOffType = p.Results.CutOffType;
this.CustomCylindricalCutOffRadius = this.CalculatorDefaults.CustomCylindricalCutOffRadius;
this.CustomCylindricalCutOffHeight = this.CalculatorDefaults.CustomCylindricalCutOffHeight;
end
@ -57,7 +57,7 @@ classdef Calculator < handle & matlab.mixin.Copyable
this.OrderParameter = this.CalculatorDefaults.OrderParameter;
this.PhaseCoherence = this.CalculatorDefaults.PhaseCoherence;
this.TotalEnergy = this.CalculatorDefaults.TotalEnergy;
this.CutoffType = this.CalculatorDefaults.CutoffType;
this.CutOffType = this.CalculatorDefaults.CutOffType;
this.CustomCylindricalCutOffRadius = this.CalculatorDefaults.CustomCylindricalCutOffRadius;
this.CustomCylindricalCutOffHeight = this.CalculatorDefaults.CustomCylindricalCutOffHeight;
end

2
Dipolar-Gas-Simulator/+Simulator/@Calculator/calculateVDk.m
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@ -10,7 +10,7 @@ function VDk = calculateVDk(this,Params,Transf,TransfRad,IncludeDDICutOff)
% Spherical
if IncludeDDICutOff
switch this.CutoffType
switch this.CutOffType
case 'Cylindrical' % Cylindrical (semianalytic)
Zcutoff = Params.Lz/2;
alph = acos((Transf.KX*sin(Params.theta)*cos(Params.phi)+Transf.KY*sin(Params.theta)*sin(Params.phi)+Transf.KZ*cos(Params.theta))./sqrt(Transf.KX.^2+Transf.KY.^2+Transf.KZ.^2));

6
Dipolar-Gas-Simulator/+Simulator/@DipolarGas/DipolarGas.m
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@ -54,8 +54,8 @@ classdef DipolarGas < handle & matlab.mixin.Copyable
@(x) assert(isnumeric(x) && isvector(x) && all(x > 0)));
addParameter(p, 'SimulationMode', 'ImaginaryTimeEvolution',...
@(x) assert(any(strcmpi(x,{'ImaginaryTimeEvolution','RealTimeEvolution'}))));
addParameter(p, 'CutoffType', 'Cylindrical',...
@(x) assert(any(strcmpi(x,{'Cylindrical','CylindricalInfiniteZ', 'Spherical', 'CustomCylindrical'}))));
addParameter(p, 'CutOffType', 'Cylindrical',...
@(x) assert(any(strcmpi(x,{'None', 'Cylindrical','CylindricalInfiniteZ', 'Spherical', 'CustomCylindrical'}))));
addParameter(p, 'TimeStepSize', 5E-4,...
@(x) assert(isnumeric(x) && isscalar(x) && (x > 0)));
addParameter(p, 'MinimumTimeStepSize', 1e-6,...
@ -110,7 +110,7 @@ classdef DipolarGas < handle & matlab.mixin.Copyable
this.DoSave = p.Results.SaveData;
this.SaveDirectory = p.Results.SaveDirectory;
this.Calculator = Simulator.Calculator('CutoffType', p.Results.CutoffType);
this.Calculator = Simulator.Calculator('CutOffType', p.Results.CutOffType);
this.SimulationParameters = this.setupParameters();

44
Dipolar-Gas-Simulator/+Simulator/@DipolarGas/initialize.m
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@ -4,20 +4,42 @@ function [psi,V,VDk] = initialize(this,Params,Transf,TransfRad)
V = this.Potential;
assert(~anynan(V), 'Potential not defined! Specify as <SimulatorObject>.Potential = <PotentialsObject>.trap() + <AdditionalTerms>.');
VDkFile = fullfile(this.SaveDirectory, 'VDk_M.mat');
VDk = [];
DDICutOffIncluded = false;
CutOffType = 'None';
% == Calculating the DDIs == %
if isfile(strcat(this.SaveDirectory, '/VDk_M.mat'))
VDk = load(sprintf(strcat(this.SaveDirectory, '/VDk_M.mat')));
VDk = VDk.VDk;
if ~isequal(size(VDk), this.NumberOfGridPoints)
VDk = this.Calculator.calculateVDk(Params,Transf,TransfRad, this.IncludeDDICutOff);
save(sprintf(strcat(this.SaveDirectory, '/VDk_M.mat')),'VDk');
end
else
VDk = this.Calculator.calculateVDk(Params,Transf,TransfRad, this.IncludeDDICutOff);
save(sprintf(strcat(this.SaveDirectory, '/VDk_M.mat')),'VDk');
if isfile(VDkFile)
loadedData = load(VDkFile);
[VDk, DDICutOffIncluded, CutOffType] = deal(loadedData.VDk, loadedData.DDICutOffIncluded, loadedData.CutOffType);
end
fprintf('Computed and saved DDI potential in Fourier space with %s cutoff.\n', this.Calculator.CutoffType)
if isempty(VDk) || ~isequal(size(VDk), this.NumberOfGridPoints) || this.IncludeDDICutOff ~= DDICutOffIncluded
% Calculate VDk if necessary
VDk = this.Calculator.calculateVDk(Params, Transf, TransfRad, this.IncludeDDICutOff);
DDICutOffIncluded = this.IncludeDDICutOff;
% Set CutOffType based on DDICutOffIncluded
if DDICutOffIncluded
CutOffType = this.Calculator.CutOffType;
fprintf('Computed and saved DDI potential in Fourier space with a %s cutoff.\n', CutOffType);
else
CutOffType = 'None';
fprintf('Computed and saved DDI potential in Fourier space with no cutoff.\n');
end
% Save the calculated VDk
save(VDkFile,'VDk', 'DDICutOffIncluded', 'CutOffType');
else
if DDICutOffIncluded
% Print load message
fprintf('Loaded pre-saved DDI potential in Fourier space with a %s cutoff.\n', CutOffType);
else
% Print load message
fprintf('Loaded pre-saved DDI potential in Fourier space with no cutoff.\n');
end
end
% == Setting up the initial wavefunction == %
psi = this.setupWavefunction(Params,Transf);

2
Dipolar-Gas-Simulator/+Simulator/@DipolarGas/setupParameters.m
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@ -62,7 +62,7 @@ function [Params] = setupParameters(this)
Params.add = mu0*Params.mu^2*Params.m/(12*pi*hbar^2);
% DDI strength
Params.gdd = 4*pi*Params.add/l0; %sometimes the 12 is a 4 --> depends on how Vdk (DDI) is defined
Params.gdd = 4*pi*Params.add/l0;
% Trap gamma
Params.gx = (Params.wx/w0)^2;

6
Dipolar-Gas-Simulator/+Simulator/@DipolarGas/setupWavefunction.m
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@ -8,9 +8,9 @@ function [psi] = setupWavefunction(~,Params,Transf)
elly = sqrt(Params.hbar/(Params.m*Params.wy))/Params.l0;
ellz = sqrt(Params.hbar/(Params.m*Params.wz))/Params.l0;
Rx = 8*ellx;
Ry = 8*elly;
Rz = 8*ellz;
Rx = 4*ellx;
Ry = 4*elly;
Rz = 4*ellz;
X0 = 0.0*Transf.Xmax;
Y0 = 0.0*Transf.Ymax;
Z0 = 0*Transf.Zmax;

2
Dipolar-Gas-Simulator/+VariationalSolver2D/@DipolarGas/setupParameters.m
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@ -79,7 +79,7 @@ function [Params] = setupParameters(this)
Params.ppadd2 = Params.ppum2*(Params.add*1e6)^2; % Particles per squared add
% DDI strength
Params.gdd = 4*pi*Params.add/l0; % sometimes the 12 is a 4 --> depends on how Vdk (DDI) is defined
Params.gdd = 4*pi*Params.add/l0;
% Trap gamma
Params.gx = (Params.wx/w0)^2;