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Latest working version - fixed issue of bounds not being properly defined for fmincon.

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Karthik 2025-01-20 01:11:03 +01:00
parent e767baf3ca
commit 0889d1178b
5 changed files with 54 additions and 93 deletions
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36
Dipolar-Gas-Simulator/+Scripts/run_locally.m
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@ -76,10 +76,10 @@ OptionsStruct.NumberOfGridPoints = [128, 128];
OptionsStruct.Dimensions = [100, 100]; OptionsStruct.Dimensions = [100, 100];
OptionsStruct.TimeStepSize = 500E-6; % in s OptionsStruct.TimeStepSize = 500E-6; % in s
OptionsStruct.MinimumTimeStepSize = 1E-5; % in s OptionsStruct.MinimumTimeStepSize = 1E-5; % in s
OptionsStruct.TimeCutOff = 1E6; % in s OptionsStruct.TimeCutOff = 2E6; % in s
OptionsStruct.EnergyTolerance = 5E-10; OptionsStruct.EnergyTolerance = 5E-10;
OptionsStruct.ResidualTolerance = 1E-05; OptionsStruct.ResidualTolerance = 1E-05;
OptionsStruct.NoiseScaleFactor = 4; OptionsStruct.NoiseScaleFactor = 0.05;
OptionsStruct.MaxIterations = 10; OptionsStruct.MaxIterations = 10;
OptionsStruct.VariationalWidth = 5.0; OptionsStruct.VariationalWidth = 5.0;
@ -137,23 +137,23 @@ OptionsStruct.DipolarPolarAngle = 0;
OptionsStruct.DipolarAzimuthAngle = 0; OptionsStruct.DipolarAzimuthAngle = 0;
OptionsStruct.ScatteringLength = 100.0289; OptionsStruct.ScatteringLength = 100.0289;
OptionsStruct.TrapFrequencies = [10, 10, 72.4]; OptionsStruct.TrapFrequencies = [0, 0, 72.4];
OptionsStruct.TrapPotentialType = 'None'; OptionsStruct.TrapPotentialType = 'None';
OptionsStruct.NumberOfGridPoints = [128, 128]; OptionsStruct.NumberOfGridPoints = [128, 128];
OptionsStruct.Dimensions = [100, 100]; OptionsStruct.Dimensions = [100, 100];
OptionsStruct.TimeStepSize = 500E-6; % in s OptionsStruct.TimeStepSize = 500E-6; % in s
OptionsStruct.MinimumTimeStepSize = 1E-5; % in s OptionsStruct.MinimumTimeStepSize = 1E-5; % in s
OptionsStruct.TimeCutOff = 1E6; % in s OptionsStruct.TimeCutOff = 2E6; % in s
OptionsStruct.EnergyTolerance = 5E-10; OptionsStruct.EnergyTolerance = 5E-10;
OptionsStruct.ResidualTolerance = 1E-04; OptionsStruct.ResidualTolerance = 1E-05;
OptionsStruct.NoiseScaleFactor = 4; OptionsStruct.NoiseScaleFactor = 0.05;
OptionsStruct.MaxIterations = 1; OptionsStruct.MaxIterations = 10;
OptionsStruct.VariationalWidth = 5.5; OptionsStruct.VariationalWidth = 5;
OptionsStruct.WidthLowerBound = 0.2; OptionsStruct.WidthLowerBound = 1;
OptionsStruct.WidthUpperBound = 12; OptionsStruct.WidthUpperBound = 12;
OptionsStruct.WidthCutoff = 1e-2; OptionsStruct.WidthCutoff = 5e-3;
OptionsStruct.PlotLive = true; OptionsStruct.PlotLive = true;
OptionsStruct.JobNumber = 1; OptionsStruct.JobNumber = 1;
@ -179,23 +179,23 @@ OptionsStruct.DipolarPolarAngle = 0;
OptionsStruct.DipolarAzimuthAngle = 0; OptionsStruct.DipolarAzimuthAngle = 0;
OptionsStruct.ScatteringLength = 101.9903; OptionsStruct.ScatteringLength = 101.9903;
OptionsStruct.TrapFrequencies = [10, 10, 72.4]; OptionsStruct.TrapFrequencies = [0, 0, 72.4];
OptionsStruct.TrapPotentialType = 'None'; OptionsStruct.TrapPotentialType = 'None';
OptionsStruct.NumberOfGridPoints = [128, 128]; OptionsStruct.NumberOfGridPoints = [128, 128];
OptionsStruct.Dimensions = [100, 100]; OptionsStruct.Dimensions = [100, 100];
OptionsStruct.TimeStepSize = 500E-6; % in s OptionsStruct.TimeStepSize = 500E-6; % in s
OptionsStruct.MinimumTimeStepSize = 1E-5; % in s OptionsStruct.MinimumTimeStepSize = 1E-5; % in s
OptionsStruct.TimeCutOff = 1E6; % in s OptionsStruct.TimeCutOff = 2E6; % in s
OptionsStruct.EnergyTolerance = 5E-10; OptionsStruct.EnergyTolerance = 5E-10;
OptionsStruct.ResidualTolerance = 1E-04; OptionsStruct.ResidualTolerance = 1E-05;
OptionsStruct.NoiseScaleFactor = 4; OptionsStruct.NoiseScaleFactor = 0.05;
OptionsStruct.MaxIterations = 1; OptionsStruct.MaxIterations = 10;
OptionsStruct.VariationalWidth = 7.5; OptionsStruct.VariationalWidth = 5;
OptionsStruct.WidthLowerBound = 0.2; OptionsStruct.WidthLowerBound = 1;
OptionsStruct.WidthUpperBound = 12; OptionsStruct.WidthUpperBound = 12;
OptionsStruct.WidthCutoff = 1e-2; OptionsStruct.WidthCutoff = 5e-3;
OptionsStruct.PlotLive = true; OptionsStruct.PlotLive = true;
OptionsStruct.JobNumber = 1; OptionsStruct.JobNumber = 1;

95
Dipolar-Gas-Simulator/+Scripts/run_on_cluster.m
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@ -10,7 +10,6 @@
% as = ((as/add)*Params.add)/Params.a0 % as = ((as/add)*Params.add)/Params.a0
% Critical point: 102.5133; Triangular phase: 98.0676; Stripe phase: 100.0289; Honeycomb phase: 101.9903 % Critical point: 102.5133; Triangular phase: 98.0676; Stripe phase: 100.0289; Honeycomb phase: 101.9903
%{
%% - Create Variational2D and Calculator object with specified options %% - Create Variational2D and Calculator object with specified options
OptionsStruct = struct; OptionsStruct = struct;
@ -20,23 +19,23 @@ OptionsStruct.DipolarPolarAngle = 0;
OptionsStruct.DipolarAzimuthAngle = 0; OptionsStruct.DipolarAzimuthAngle = 0;
OptionsStruct.ScatteringLength = 98.0676; OptionsStruct.ScatteringLength = 98.0676;
OptionsStruct.TrapFrequencies = [10, 10, 72.4]; OptionsStruct.TrapFrequencies = [0, 0, 72.4];
OptionsStruct.TrapPotentialType = 'None'; OptionsStruct.TrapPotentialType = 'None';
OptionsStruct.NumberOfGridPoints = [256, 256]; OptionsStruct.NumberOfGridPoints = [256, 256];
OptionsStruct.Dimensions = [100, 100]; OptionsStruct.Dimensions = [100, 100];
OptionsStruct.TimeStepSize = 100E-6; % in s OptionsStruct.TimeStepSize = 500E-6; % in s
OptionsStruct.MinimumTimeStepSize = 1E-5; % in s OptionsStruct.MinimumTimeStepSize = 1E-5; % in s
OptionsStruct.TimeCutOff = 2E6; % in s OptionsStruct.TimeCutOff = 2E6; % in s
OptionsStruct.EnergyTolerance = 5E-10; OptionsStruct.EnergyTolerance = 5E-10;
OptionsStruct.ResidualTolerance = 1E-04; OptionsStruct.ResidualTolerance = 1E-05;
OptionsStruct.NoiseScaleFactor = 4; OptionsStruct.NoiseScaleFactor = 0.05;
OptionsStruct.MaxIterations = 20; OptionsStruct.MaxIterations = 10;
OptionsStruct.VariationalWidth = 4; OptionsStruct.VariationalWidth = 5;
OptionsStruct.WidthLowerBound = 0.2; OptionsStruct.WidthLowerBound = 1;
OptionsStruct.WidthUpperBound = 12; OptionsStruct.WidthUpperBound = 12;
OptionsStruct.WidthCutoff = 1e-3; OptionsStruct.WidthCutoff = 5e-3;
OptionsStruct.PlotLive = false; OptionsStruct.PlotLive = false;
OptionsStruct.JobNumber = 1; OptionsStruct.JobNumber = 1;
@ -62,23 +61,23 @@ OptionsStruct.DipolarPolarAngle = 0;
OptionsStruct.DipolarAzimuthAngle = 0; OptionsStruct.DipolarAzimuthAngle = 0;
OptionsStruct.ScatteringLength = 100.0289; OptionsStruct.ScatteringLength = 100.0289;
OptionsStruct.TrapFrequencies = [10, 10, 72.4]; OptionsStruct.TrapFrequencies = [0, 0, 72.4];
OptionsStruct.TrapPotentialType = 'None'; OptionsStruct.TrapPotentialType = 'None';
OptionsStruct.NumberOfGridPoints = [128, 128]; OptionsStruct.NumberOfGridPoints = [256, 256];
OptionsStruct.Dimensions = [100, 100]; OptionsStruct.Dimensions = [100, 100];
OptionsStruct.TimeStepSize = 100E-6; % in s OptionsStruct.TimeStepSize = 500E-6; % in s
OptionsStruct.MinimumTimeStepSize = 1E-5; % in s OptionsStruct.MinimumTimeStepSize = 1E-5; % in s
OptionsStruct.TimeCutOff = 2E6; % in s OptionsStruct.TimeCutOff = 2E6; % in s
OptionsStruct.EnergyTolerance = 5E-10; OptionsStruct.EnergyTolerance = 5E-10;
OptionsStruct.ResidualTolerance = 1E-04; OptionsStruct.ResidualTolerance = 1E-05;
OptionsStruct.NoiseScaleFactor = 4; OptionsStruct.NoiseScaleFactor = 0.05;
OptionsStruct.MaxIterations = 20; OptionsStruct.MaxIterations = 10;
OptionsStruct.VariationalWidth = 5; OptionsStruct.VariationalWidth = 5;
OptionsStruct.WidthLowerBound = 0.2; OptionsStruct.WidthLowerBound = 1;
OptionsStruct.WidthUpperBound = 12; OptionsStruct.WidthUpperBound = 12;
OptionsStruct.WidthCutoff = 1e-2; OptionsStruct.WidthCutoff = 5e-3;
OptionsStruct.PlotLive = false; OptionsStruct.PlotLive = false;
OptionsStruct.JobNumber = 2; OptionsStruct.JobNumber = 2;
@ -104,23 +103,23 @@ OptionsStruct.DipolarPolarAngle = 0;
OptionsStruct.DipolarAzimuthAngle = 0; OptionsStruct.DipolarAzimuthAngle = 0;
OptionsStruct.ScatteringLength = 101.9903; OptionsStruct.ScatteringLength = 101.9903;
OptionsStruct.TrapFrequencies = [10, 10, 72.4]; OptionsStruct.TrapFrequencies = [0, 0, 72.4];
OptionsStruct.TrapPotentialType = 'None'; OptionsStruct.TrapPotentialType = 'None';
OptionsStruct.NumberOfGridPoints = [256, 256]; OptionsStruct.NumberOfGridPoints = [256, 256];
OptionsStruct.Dimensions = [100, 100]; OptionsStruct.Dimensions = [100, 100];
OptionsStruct.TimeStepSize = 100E-6; % in s OptionsStruct.TimeStepSize = 500E-6; % in s
OptionsStruct.MinimumTimeStepSize = 1E-5; % in s OptionsStruct.MinimumTimeStepSize = 1E-5; % in s
OptionsStruct.TimeCutOff = 2E6; % in s OptionsStruct.TimeCutOff = 2E6; % in s
OptionsStruct.EnergyTolerance = 5E-10; OptionsStruct.EnergyTolerance = 5E-10;
OptionsStruct.ResidualTolerance = 1E-04; OptionsStruct.ResidualTolerance = 1E-05;
OptionsStruct.NoiseScaleFactor = 4; OptionsStruct.NoiseScaleFactor = 0.05;
OptionsStruct.MaxIterations = 20; OptionsStruct.MaxIterations = 10;
OptionsStruct.VariationalWidth = 6.5; OptionsStruct.VariationalWidth = 5;
OptionsStruct.WidthLowerBound = 0.2; OptionsStruct.WidthLowerBound = 1;
OptionsStruct.WidthUpperBound = 30; OptionsStruct.WidthUpperBound = 12;
OptionsStruct.WidthCutoff = 1e-3; OptionsStruct.WidthCutoff = 5e-3;
OptionsStruct.PlotLive = false; OptionsStruct.PlotLive = false;
OptionsStruct.JobNumber = 3; OptionsStruct.JobNumber = 3;
@ -136,49 +135,10 @@ solver.Potential = pot.trap();
%-% Run Solver %-% %-% Run Solver %-%
[Params, Transf, psi, V, VDk] = solver.run(); [Params, Transf, psi, V, VDk] = solver.run();
%}
%% - Create Variational2D and Calculator object with specified options
OptionsStruct = struct; %%
OptionsStruct.NumberOfAtoms = 2.0030e+07;
OptionsStruct.DipolarPolarAngle = 0;
OptionsStruct.DipolarAzimuthAngle = 0;
OptionsStruct.ScatteringLength = 98.0676;
OptionsStruct.TrapFrequencies = [10, 10, 72.4];
OptionsStruct.TrapPotentialType = 'None';
OptionsStruct.NumberOfGridPoints = [128, 128];
OptionsStruct.Dimensions = [100, 100];
OptionsStruct.TimeStepSize = 500E-6; % in s
OptionsStruct.MinimumTimeStepSize = 1E-5; % in s
OptionsStruct.TimeCutOff = 1E6; % in s
OptionsStruct.EnergyTolerance = 5E-10;
OptionsStruct.ResidualTolerance = 1E-04;
OptionsStruct.NoiseScaleFactor = 4;
OptionsStruct.MaxIterations = 1;
OptionsStruct.VariationalWidth = 5.0;
OptionsStruct.WidthLowerBound = 0.2;
OptionsStruct.WidthUpperBound = 12;
OptionsStruct.WidthCutoff = 1e-2;
OptionsStruct.PlotLive = false;
OptionsStruct.JobNumber = 1;
OptionsStruct.RunOnGPU = true;
OptionsStruct.SaveData = true;
OptionsStruct.SaveDirectory = './Data_TriangularPhase';
options = Helper.convertstruct2cell(OptionsStruct);
clear OptionsStruct
solver = VariationalSolver2D.DipolarGas(options{:});
pot = VariationalSolver2D.Potentials(options{:});
solver.Potential = pot.trap();
%-% Run Solver %-%
[Params, Transf, psi, V, VDk] = solver.run();
%{
% Solve BdG equations % Solve BdG equations
% Load data % Load data
Data = load(sprintf(horzcat(solver.SaveDirectory, '/Run_%03i/psi_gs.mat'),solver.JobNumber),'psi','Transf','Params','VParams','V'); Data = load(sprintf(horzcat(solver.SaveDirectory, '/Run_%03i/psi_gs.mat'),solver.JobNumber),'psi','Transf','Params','VParams','V');
@ -204,3 +164,4 @@ muchem = solver.Calculator.calculateChemicalPotential(psi,Params,VParams,Transf,
% Save the eigenvalues and eigenvectors to a .mat file % Save the eigenvalues and eigenvectors to a .mat file
save(sprintf(strcat(solver.SaveDirectory, '/Run_%03i/bdg_eigen_data.mat'),solver.JobNumber), 'evals', 'modes', '-v7.3'); save(sprintf(strcat(solver.SaveDirectory, '/Run_%03i/bdg_eigen_data.mat'),solver.JobNumber), 'evals', 'modes', '-v7.3');
%}

4
Dipolar-Gas-Simulator/+VariationalSolver2D/@Calculator/calculateVDkWithCutoff.m
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@ -7,7 +7,7 @@ function VDk = calculateVDkWithCutoff(~, Transf, Params, ell)
Qsq = QX.^2 + QY.^2; Qsq = QX.^2 + QY.^2;
absQ = sqrt(Qsq); absQ = sqrt(Qsq);
QDsq = QX.^2*cos(Params.phi)^2 + QY.^2*sin(Params.phi)^2; QDsq = QX.^2*cos(Params.eta)^2 + QY.^2*sin(Params.eta)^2;
% Bare interaction % Bare interaction
Fpar = -1 + 3*sqrt(pi)*QDsq.*erfcx(absQ)./absQ; % Scaled complementary error function erfcx(x) = e^(x^2) * erfc(x) Fpar = -1 + 3*sqrt(pi)*QDsq.*erfcx(absQ)./absQ; % Scaled complementary error function erfcx(x) = e^(x^2) * erfc(x)
@ -15,7 +15,7 @@ function VDk = calculateVDkWithCutoff(~, Transf, Params, ell)
Fpar(absQ == 0) = -1; Fpar(absQ == 0) = -1;
% Full DDI % Full DDI
VDk = (Fpar*sin(Params.theta)^2 + Fperp*cos(Params.theta)^2); VDk = Fpar*sin(Params.theta)^2 + Fperp*cos(Params.theta)^2;
% Implementing a cutoff: % Implementing a cutoff:
VDr = ifftn(VDk); VDr = ifftn(VDk);

2
Dipolar-Gas-Simulator/+VariationalSolver2D/@DipolarGas/DipolarGas.m
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@ -114,7 +114,7 @@ classdef DipolarGas < handle & matlab.mixin.Copyable
this.MaxIterations = p.Results.MaxIterations; this.MaxIterations = p.Results.MaxIterations;
this.VariationalWidth = p.Results.VariationalWidth; this.VariationalWidth = p.Results.VariationalWidth;
this.WidthLowerBound = p.Results.WidthUpperBound; this.WidthLowerBound = p.Results.WidthLowerBound;
this.WidthUpperBound = p.Results.WidthUpperBound; this.WidthUpperBound = p.Results.WidthUpperBound;
this.VariationalWidthTolerance = p.Results.VariationalWidthTolerance; this.VariationalWidthTolerance = p.Results.VariationalWidthTolerance;
this.VariationalEnergyTolerance = p.Results.VariationalEnergyTolerance; this.VariationalEnergyTolerance = p.Results.VariationalEnergyTolerance;

4
Dipolar-Gas-Simulator/+VariationalSolver2D/@DipolarGas/setupParameters.m
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@ -24,8 +24,8 @@ function [Params] = setupParameters(this)
Params.N = this.NumberOfAtoms; Params.N = this.NumberOfAtoms;
% Dipole angle % Dipole angle
Params.theta = this.DipolarPolarAngle; % pi/2 dipoles along x, theta=0 dipoles along z Params.theta = this.DipolarPolarAngle; % pi/2 dipoles along X-axis, theta = 0 dipoles along Z-axis
Params.phi = this.DipolarAzimuthAngle; Params.eta = this.DipolarAzimuthAngle; % tilt in to the X-Y plane away from the X-axis by this angle
% Dipole lengths (units of muB) % Dipole lengths (units of muB)
Params.mu = CONSTANTS.DyMagneticMoment; Params.mu = CONSTANTS.DyMagneticMoment;