From 88f2554b8eb2d14b82302ae6b3dd6cfd433ce748 Mon Sep 17 00:00:00 2001
From: Karthik Chandrashekara <karthik@physi.uni-heidelberg.de>
Date: Wed, 26 Mar 2025 19:50:59 +0100
Subject: [PATCH] Added custom cylindrical cut off, yet to be fully tested,
minor mods to plotting routines.
---
Dipolar-Gas-Simulator/+Plotter/plotLive.m | 4 +--
.../+Plotter/visualizeGSWavefunction.m | 6 ++---
Dipolar-Gas-Simulator/+Scripts/run_locally.m | 17 +++++++-----
.../+Scripts/run_on_cluster.m | 6 ++---
.../+Simulator/@Calculator/Calculator.m | 26 ++++++++++++-------
.../+Simulator/@Calculator/calculateVDk.m | 14 ++++++++++
.../+Simulator/@DipolarGas/DipolarGas.m | 2 +-
7 files changed, 51 insertions(+), 24 deletions(-)
diff --git a/Dipolar-Gas-Simulator/+Plotter/plotLive.m b/Dipolar-Gas-Simulator/+Plotter/plotLive.m
index cd033be..bec2d08 100644
--- a/Dipolar-Gas-Simulator/+Plotter/plotLive.m
+++ b/Dipolar-Gas-Simulator/+Plotter/plotLive.m
@@ -32,7 +32,7 @@ function plotLive(psi,Params,Transf,Observ)
colormap(gca, Helper.Colormaps.plasma())
xlabel('$x$ ($\mu$m)', 'Interpreter', 'latex', 'FontSize', 14)
ylabel('$z$ ($\mu$m)', 'Interpreter', 'latex', 'FontSize', 14)
- title('$|\Psi(x,y)|^2$', 'Interpreter', 'latex', 'FontSize', 14)
+ title('$|\Psi(x,z)|^2$', 'Interpreter', 'latex', 'FontSize', 14)
nexttile;
plotyz = pcolor(y,z,nyz');
@@ -43,7 +43,7 @@ function plotLive(psi,Params,Transf,Observ)
colormap(gca, Helper.Colormaps.plasma())
xlabel('$y$ ($\mu$m)', 'Interpreter', 'latex', 'FontSize', 14)
ylabel('$z$ ($\mu$m)', 'Interpreter', 'latex', 'FontSize', 14)
- title('$|\Psi(x,y)|^2$', 'Interpreter', 'latex', 'FontSize', 14)
+ title('$|\Psi(y,z)|^2$', 'Interpreter', 'latex', 'FontSize', 14)
nexttile;
plotxy = pcolor(x,y,nxy');
diff --git a/Dipolar-Gas-Simulator/+Plotter/visualizeGSWavefunction.m b/Dipolar-Gas-Simulator/+Plotter/visualizeGSWavefunction.m
index 8071c95..dbe589a 100644
--- a/Dipolar-Gas-Simulator/+Plotter/visualizeGSWavefunction.m
+++ b/Dipolar-Gas-Simulator/+Plotter/visualizeGSWavefunction.m
@@ -1,9 +1,9 @@
-function visualizeGSWavefunction(run_index)
+function visualizeGSWavefunction(folder_path, run_index)
+
set(0,'defaulttextInterpreter','latex')
set(groot, 'defaultAxesTickLabelInterpreter','latex'); set(groot, 'defaultLegendInterpreter','latex');
- folder_path = './Data';
-
+ % Load data
Data = load(sprintf(horzcat(folder_path, '/Run_%03i/psi_gs.mat'),run_index),'psi','Params','Transf','Observ');
Params = Data.Params;
diff --git a/Dipolar-Gas-Simulator/+Scripts/run_locally.m b/Dipolar-Gas-Simulator/+Scripts/run_locally.m
index 7736548..8c90eee 100644
--- a/Dipolar-Gas-Simulator/+Scripts/run_locally.m
+++ b/Dipolar-Gas-Simulator/+Scripts/run_locally.m
@@ -11,14 +11,17 @@ OptionsStruct.DipolarPolarAngle = deg2rad(0);
OptionsStruct.DipolarAzimuthAngle = 0;
OptionsStruct.ScatteringLength = 85;
-OptionsStruct.TrapFrequencies = [125, 125, 350];
+AspectRatio = 2.8;
+HorizontalTrapFrequency = 125;
+VerticalTrapFrequency = AspectRatio * HorizontalTrapFrequency;
+OptionsStruct.TrapFrequencies = [HorizontalTrapFrequency, HorizontalTrapFrequency, VerticalTrapFrequency];
OptionsStruct.TrapPotentialType = 'Harmonic';
-OptionsStruct.NumberOfGridPoints = [128, 128, 64];
+OptionsStruct.NumberOfGridPoints = [256, 256, 128];
OptionsStruct.Dimensions = [30, 30, 15];
OptionsStruct.CutoffType = 'Cylindrical';
OptionsStruct.SimulationMode = 'ImaginaryTimeEvolution'; % 'ImaginaryTimeEvolution' | 'RealTimeEvolution'
-OptionsStruct.TimeStepSize = 0.002; % in s
+OptionsStruct.TimeStepSize = 0.001; % in s
OptionsStruct.MinimumTimeStepSize = 1E-6; % in s
OptionsStruct.TimeCutOff = 1E6; % in s
OptionsStruct.EnergyTolerance = 5E-10;
@@ -26,10 +29,10 @@ OptionsStruct.ResidualTolerance = 1E-05;
OptionsStruct.NoiseScaleFactor = 0.05;
OptionsStruct.PlotLive = true;
-OptionsStruct.JobNumber = 1;
+OptionsStruct.JobNumber = 0;
OptionsStruct.RunOnGPU = false;
OptionsStruct.SaveData = true;
-OptionsStruct.SaveDirectory = './Results/Data_3D';
+OptionsStruct.SaveDirectory = sprintf('./Results/Data_3D/AspectRatio%s', strrep(num2str(AspectRatio), '.', '_'));
options = Helper.convertstruct2cell(OptionsStruct);
clear OptionsStruct
@@ -47,7 +50,9 @@ Plotter.visualizeTrapPotential(sim.Potential,Params,Transf)
%% - Plot initial wavefunction
Plotter.visualizeWavefunction(psi,Params,Transf)
%% - Plot GS wavefunction
-Plotter.visualizeGSWavefunction(Params.njob)
+SaveDirectory = './Results/Data_3D/AspectRatio2_8';
+JobNumber = 0;
+Plotter.visualizeGSWavefunction(SaveDirectory, JobNumber)
%%
diff --git a/Dipolar-Gas-Simulator/+Scripts/run_on_cluster.m b/Dipolar-Gas-Simulator/+Scripts/run_on_cluster.m
index 5f558fd..fa7956d 100644
--- a/Dipolar-Gas-Simulator/+Scripts/run_on_cluster.m
+++ b/Dipolar-Gas-Simulator/+Scripts/run_on_cluster.m
@@ -17,7 +17,7 @@ OptionsStruct.NumberOfGridPoints = [256, 256, 128];
OptionsStruct.Dimensions = [30, 30, 15];
OptionsStruct.CutoffType = 'Cylindrical';
OptionsStruct.SimulationMode = 'ImaginaryTimeEvolution'; % 'ImaginaryTimeEvolution' | 'RealTimeEvolution'
-OptionsStruct.TimeStepSize = 0.002; % in s
+OptionsStruct.TimeStepSize = 0.001; % in s
OptionsStruct.MinimumTimeStepSize = 1E-6; % in s
OptionsStruct.TimeCutOff = 1E6; % in s
OptionsStruct.EnergyTolerance = 5E-10;
@@ -58,7 +58,7 @@ OptionsStruct.NumberOfGridPoints = [256, 256, 128];
OptionsStruct.Dimensions = [30, 30, 15];
OptionsStruct.CutoffType = 'Cylindrical';
OptionsStruct.SimulationMode = 'ImaginaryTimeEvolution'; % 'ImaginaryTimeEvolution' | 'RealTimeEvolution'
-OptionsStruct.TimeStepSize = 0.002; % in s
+OptionsStruct.TimeStepSize = 0.001; % in s
OptionsStruct.MinimumTimeStepSize = 1E-6; % in s
OptionsStruct.TimeCutOff = 1E6; % in s
OptionsStruct.EnergyTolerance = 5E-10;
@@ -66,7 +66,7 @@ OptionsStruct.ResidualTolerance = 1E-05;
OptionsStruct.NoiseScaleFactor = 0.05;
OptionsStruct.PlotLive = false;
-OptionsStruct.JobNumber = 1;
+OptionsStruct.JobNumber = 0;
OptionsStruct.RunOnGPU = true;
OptionsStruct.SaveData = true;
OptionsStruct.SaveDirectory = sprintf('./Results/Data_3D/AspectRatio%s', strrep(num2str(AspectRatio), '.', '_'));
diff --git a/Dipolar-Gas-Simulator/+Simulator/@Calculator/Calculator.m b/Dipolar-Gas-Simulator/+Simulator/@Calculator/Calculator.m
index a80c05c..638d6a8 100644
--- a/Dipolar-Gas-Simulator/+Simulator/@Calculator/Calculator.m
+++ b/Dipolar-Gas-Simulator/+Simulator/@Calculator/Calculator.m
@@ -8,7 +8,9 @@ classdef Calculator < handle & matlab.mixin.Copyable
'OrderParameter', 1, ...
'PhaseCoherence', 1, ...
'TotalEnergy', 1, ...
- 'CutoffType', 'Cylindrical');
+ 'CutoffType', 'Cylindrical', ...
+ 'CustomCylindricalCutOffRadius', 1, ...
+ 'CustomCylindricalCutOffHeight', 1);
end
@@ -20,6 +22,8 @@ classdef Calculator < handle & matlab.mixin.Copyable
PhaseCoherence;
TotalEnergy;
CutoffType;
+ CustomCylindricalCutOffRadius
+ CustomCylindricalCutOffHeight
end
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
@@ -31,7 +35,7 @@ classdef Calculator < handle & matlab.mixin.Copyable
p = inputParser;
p.KeepUnmatched = true;
addParameter(p, 'CutoffType', this.CalculatorDefaults.CutoffType,...
- @(x) any(strcmpi(x,{'Cylindrical','CylindricalInfiniteZ', 'Spherical'})));
+ @(x) any(strcmpi(x,{'Cylindrical','CylindricalInfiniteZ', 'Spherical', 'CustomCylindrical'})));
p.parse(varargin{:});
@@ -42,16 +46,20 @@ classdef Calculator < handle & matlab.mixin.Copyable
this.PhaseCoherence = this.CalculatorDefaults.PhaseCoherence;
this.TotalEnergy = this.CalculatorDefaults.TotalEnergy;
this.CutoffType = p.Results.CutoffType;
+ this.CustomCylindricalCutOffRadius = this.CalculatorDefaults.CustomCylindricalCutOffRadius;
+ this.CustomCylindricalCutOffHeight = this.CalculatorDefaults.CustomCylindricalCutOffHeight;
end
function restoreDefaults(this)
- 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.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.CustomCylindricalCutOffRadius = this.CalculatorDefaults.CustomCylindricalCutOffRadius;
+ this.CustomCylindricalCutOffHeight = this.CalculatorDefaults.CustomCylindricalCutOffHeight;
end
end %
diff --git a/Dipolar-Gas-Simulator/+Simulator/@Calculator/calculateVDk.m b/Dipolar-Gas-Simulator/+Simulator/@Calculator/calculateVDk.m
index 1c9fbc7..84bff55 100644
--- a/Dipolar-Gas-Simulator/+Simulator/@Calculator/calculateVDk.m
+++ b/Dipolar-Gas-Simulator/+Simulator/@Calculator/calculateVDk.m
@@ -57,6 +57,20 @@ function VDk = calculateVDk(this,Params,Transf,TransfRad,IncludeDDICutOff)
K = sqrt(Transf.KX.^2+Transf.KY.^2+Transf.KZ.^2);
VDk = (cos(alph).^2-1/3).*(1 + 3*cos(Rcut*K)./(Rcut^2.*K.^2) - 3*sin(Rcut*K)./(Rcut^3.*K.^3));
+
+ case 'CustomCylindrical'
+ 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));
+ alph(1) = pi/2;
+ VDk = cos(alph).^2-1/3;
+ % Implementing a custom cylindrical cutoff:
+ VDr = ifftn(VDk);
+ VDr = fftshift(VDr);
+ % Define the cylindrical mask
+ cylinder_mask = (Transf.X.^2 + Transf.Y.^2 <= this.CustomCylindricalCutOffRadius^2) & (abs(Transf.Z) <= this.CustomCylindricalCutOffHeight / 2);
+ % Multiply the mask to apply the cut-off
+ VDr = VDr.*double(cylinder_mask);
+ VDr = ifftshift(VDr);
+ VDk = fftn(VDr);
otherwise
disp('Choose a valid DDI cutoff type!')
diff --git a/Dipolar-Gas-Simulator/+Simulator/@DipolarGas/DipolarGas.m b/Dipolar-Gas-Simulator/+Simulator/@DipolarGas/DipolarGas.m
index f3b8693..292a56c 100644
--- a/Dipolar-Gas-Simulator/+Simulator/@DipolarGas/DipolarGas.m
+++ b/Dipolar-Gas-Simulator/+Simulator/@DipolarGas/DipolarGas.m
@@ -55,7 +55,7 @@ classdef DipolarGas < handle & matlab.mixin.Copyable
addParameter(p, 'SimulationMode', 'ImaginaryTimeEvolution',...
@(x) assert(any(strcmpi(x,{'ImaginaryTimeEvolution','RealTimeEvolution'}))));
addParameter(p, 'CutoffType', 'Cylindrical',...
- @(x) assert(any(strcmpi(x,{'Cylindrical','CylindricalInfiniteZ', 'Spherical'}))));
+ @(x) assert(any(strcmpi(x,{'Cylindrical','CylindricalInfiniteZ', 'Spherical', 'CustomCylindrical'}))));
addParameter(p, 'TimeStepSize', 5E-4,...
@(x) assert(isnumeric(x) && isscalar(x) && (x > 0)));
addParameter(p, 'MinimumTimeStepSize', 1e-6,...