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Fixed bugs to have a working version of the Variational2D solver.

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Karthik 2024-11-14 11:13:07 +01:00
parent 7c8f4e2362
commit 53894fb77b
8 changed files with 71 additions and 27 deletions
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39
Dipolar-Gas-Simulator/+Scripts/run_locally.m
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@ -47,3 +47,42 @@ Plotter.visualizeTrapPotential(sim.Potential,Params,Transf)
Plotter.visualizeWavefunction(psi,Params,Transf) Plotter.visualizeWavefunction(psi,Params,Transf)
%% - Plot GS wavefunction %% - Plot GS wavefunction
Plotter.visualizeGSWavefunction(Params.njob) Plotter.visualizeGSWavefunction(Params.njob)
%% - Create Variational2D and Calculator object with specified options
OptionsStruct = struct;
OptionsStruct.NumberOfAtoms = 1.24E5;
OptionsStruct.DipolarPolarAngle = 0;
OptionsStruct.DipolarAzimuthAngle = 0;
OptionsStruct.ScatteringLength = 90;
OptionsStruct.TrapFrequencies = [44.97, 10.4, 126.3];
OptionsStruct.NumberOfGridPoints = [128, 256, 128];
OptionsStruct.Dimensions = [50, 120, 150];
OptionsStruct.TimeStepSize = 500E-6; % in s
OptionsStruct.NumberOfTimeSteps = 100; % in s
OptionsStruct.EnergyTolerance = 5E-10;
OptionsStruct.ResidualTolerance = 1E-05;
OptionsStruct.JobNumber = 1;
OptionsStruct.RunOnGPU = false;
OptionsStruct.SaveData = true;
OptionsStruct.SaveDirectory = './Data';
options = Helper.convertstruct2cell(OptionsStruct);
clear OptionsStruct
solver = Variational2D.DipolarGas(options{:});
%-% Run Solver %-%
[Params, Transf, psi, V, VDk] = solver.run();
%% - Plot numerical grid
Plotter.visualizeSpace(Transf)
%% - Plot trap potential
Plotter.visualizeTrapPotential(sim.Potential,Params,Transf)
%% - Plot initial wavefunction
Plotter.visualizeWavefunction(psi,Params,Transf)
%% - Plot GS wavefunction
Plotter.visualizeGSWavefunction(Params.njob)

13
Dipolar-Gas-Simulator/+Variational2D/@Calculator/calculateVDkWithCutoff.m
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@ -7,17 +7,18 @@ function VDk = calculateVDkWithCutoff(~, rcut, Transf, Params, VParams)
Qsq = QX.^2 + QY.^2; Qsq = QX.^2 + QY.^2;
absQ = sqrt(Qsq); absQ = sqrt(Qsq);
QDsq = QX.^2*cos(Params.eta)^2 + QY.^2*sin(Params.eta)^2; QDsq = QX.^2*cos(Params.phi)^2 + QY.^2*sin(Params.phi)^2;
%Bare interaction % Bare interaction
Fpar = -1 + 3*sqrt(pi)*QDsq.*erfcx(absQ)./absQ; Fpar = -1 + 3*sqrt(pi)*QDsq.*erfcx(absQ)./absQ;
Fperp = 2 - 3*sqrt(pi).*absQ.*erfcx(absQ); Fperp = 2 - 3*sqrt(pi).*absQ.*erfcx(absQ);
Fpar(absQ == 0) = -1; %Fpar(isinf(Fpar)) = -1; Fpar(absQ == 0) = -1;
% Fpar(isinf(Fpar)) = -1;
%Full DDI % Full DDI
VDk = (Fpar*sin(Params.alpha)^2 + Fperp*cos(Params.alpha)^2); VDk = (Fpar*sin(Params.theta)^2 + Fperp*cos(Params.theta)^2);
%Implementing a cutoff: % Implementing a cutoff:
VDr = ifftn(VDk); VDr = ifftn(VDk);
VDr = fftshift(VDr); VDr = fftshift(VDr);

5
Dipolar-Gas-Simulator/+Variational2D/@Calculator/calculateVariationalEnergy.m
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@ -1,4 +1,4 @@
function E = calculateVariationalEnergy(~, psi, Params, VarArray, Transf, VDk, V) function E = calculateVariationalEnergy(this, psi, Params, VarArray, Transf, VDk, V)
VParams.ell = VarArray(1); VParams.ell = VarArray(1);
VParams.nu = VarArray(2); VParams.nu = VarArray(2);
@ -12,7 +12,7 @@ function E = calculateVariationalEnergy(~, psi, Params, VarArray, Transf, VDk, V
normfac = Params.Lx*Params.Ly/numel(psi); normfac = Params.Lx*Params.Ly/numel(psi);
% DDIs % DDIs
[VParams] = find_nk_fit(VParams); % Not totally sure this should be here [VParams] = this.find_nk_fit(VParams); % Not totally sure this should be here
frho = fftn(abs(psi).^2); frho = fftn(abs(psi).^2);
Phi = real(ifftn(frho.*VDk)); Phi = real(ifftn(frho.*VDk));
Eddi = 0.5*Params.gdd*Phi.*abs(psi).^2/(sqrt(2*pi)*VParams.ell_eff);% Eddi = 0.5*Params.gdd*Phi.*abs(psi).^2/(sqrt(2*pi)*VParams.ell_eff);%
@ -34,5 +34,6 @@ function E = calculateVariationalEnergy(~, psi, Params, VarArray, Transf, VDk, V
Eqf = 0.4*gamma_eff*abs(psi).^5; Eqf = 0.4*gamma_eff*abs(psi).^5;
Eqf = trapz(Eqf(:))*Transf.dx*Transf.dy; Eqf = trapz(Eqf(:))*Transf.dx*Transf.dy;
% Total
E = EVar*Params.N + Ekin + Epot + Eint + Eddi + Eqf; E = EVar*Params.N + Ekin + Epot + Eint + Eddi + Eqf;
end end

6
Dipolar-Gas-Simulator/+Variational2D/@Calculator/find_nk_fit.m
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@ -1,4 +1,4 @@
function [VParams] = find_nk_fit(VParams) function [ret] = find_nk_fit(~,VParams)
Lz = 20; Lz = 20;
Nz = 4000; Nz = 4000;
@ -20,5 +20,7 @@ function [VParams] = find_nk_fit(VParams)
f = fit(kz',nk_forfit','gauss1'); % f(x) = a1*exp(-((x-b1)/c1)^2) f = fit(kz',nk_forfit','gauss1'); % f(x) = a1*exp(-((x-b1)/c1)^2)
VParams.ell_eff = 1/f.c1; ret.ell = VParams.ell;
ret.nu = VParams.nu;
ret.ell_eff = 1/f.c1;
end end

2
Dipolar-Gas-Simulator/+Variational2D/@DipolarGas/DipolarGas.m
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@ -91,7 +91,7 @@ classdef DipolarGas < handle & matlab.mixin.Copyable
this.DoSave = p.Results.SaveData; this.DoSave = p.Results.SaveData;
this.SaveDirectory = p.Results.SaveDirectory; this.SaveDirectory = p.Results.SaveDirectory;
this.Calculator = Simulator.Calculator(); this.Calculator = Variational2D.Calculator();
this.SimulationParameters = this.setupParameters(); this.SimulationParameters = this.setupParameters();

2
Dipolar-Gas-Simulator/+Variational2D/@DipolarGas/initialize.m
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@ -15,7 +15,7 @@ function [psi,V,VDk] = initialize(this,Params,VParams,Transf)
VDk = this.Calculator.calculateVDkWithCutoff(rcut, Transf, Params, VParams); VDk = this.Calculator.calculateVDkWithCutoff(rcut, Transf, Params, VParams);
save(sprintf(strcat(this.SaveDirectory, '/VDk_M.mat')),'VDk'); save(sprintf(strcat(this.SaveDirectory, '/VDk_M.mat')),'VDk');
end end
fprintf('Computed and saved DDI potential in Fourier space with %s cutoff.\n', this.Calculator.CutoffType) fprintf('Computed and saved DDI potential in Fourier space with cutoff.\n')
% == Setting up the initial wavefunction == % % == Setting up the initial wavefunction == %
psi = this.setupWavefunction(Params,Transf); psi = this.setupWavefunction(Params,Transf);

20
Dipolar-Gas-Simulator/+Variational2D/@DipolarGas/propagateWavefunction.m
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@ -2,21 +2,21 @@ function [psi] = propagateWavefunction(this, psi, Params, VParams, Transf, VDk,
set(0,'defaulttextInterpreter','latex') set(0,'defaulttextInterpreter','latex')
set(groot, 'defaultAxesTickLabelInterpreter','latex'); set(groot, 'defaultLegendInterpreter','latex'); set(groot, 'defaultAxesTickLabelInterpreter','latex'); set(groot, 'defaultLegendInterpreter','latex');
dt =-1j*abs(this.TimeStepSize); % Imaginary Time dt =-1j*abs(this.TimeStepSize); % Imaginary Time
KEop = 0.5*(Transf.KX.^2+Transf.KY.^2); KEop = 0.5*(Transf.KX.^2+Transf.KY.^2);
Observ.res = 1; Observ.res = 1;
AdaptIdx = 0; AdaptIdx = 0;
% Change in Energy % Change in Energy
E = this.Calculator.calculateTotalEnergy(psi,Params,VParams,Transf,VDk,V); E = this.Calculator.calculateTotalEnergy(psi,Params,VParams,Transf,VDk,V);
E = E/Params.N; E = E/Params.N;
Observ.EVec = [Observ.EVec E]; Observ.EVec = [Observ.EVec E];
% Chemical Potential % Chemical Potential
muchem = this.Calculator.calculateChemicalPotential(psi,Params,VParams,Transf,VDk,V); muchem = this.Calculator.calculateChemicalPotential(psi,Params,VParams,Transf,VDk,V);
Observ.mucVec = [Observ.mucVec muchem]; Observ.mucVec = [Observ.mucVec muchem];
% Normalized residuals % Normalized residuals
res = this.Calculator.calculateNormalizedResiduals(psi,Params,VParams,Transf,VDk,V,muchem); res = this.Calculator.calculateNormalizedResiduals(psi,Params,VParams,Transf,VDk,V,muchem);
@ -107,7 +107,7 @@ function [psi] = propagateWavefunction(this, psi, Params, VParams, Transf, VDk,
Observ.residual = [Observ.residual res]; Observ.residual = [Observ.residual res];
Observ.res_idx = Observ.res_idx + 1; Observ.res_idx = Observ.res_idx + 1;
%Chemical potential % Chemical potential
Observ.mucVec = [Observ.mucVec muchem]; Observ.mucVec = [Observ.mucVec muchem];
pb.run(' - Job Completed!'); pb.run(' - Job Completed!');

9
Dipolar-Gas-Simulator/+Variational2D/@DipolarGas/run.m
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@ -12,7 +12,7 @@ function [Params, Transf, psi, V, VDk] = run(this)
VarArray = Params.VarArray; VarArray = Params.VarArray;
VParams.ell = VarArray(1); VParams.ell = VarArray(1);
VParams.nu = VarArray(2); VParams.nu = VarArray(2);
[VParams] = find_nk_fit(VParams); [VParams] = this.Calculator.find_nk_fit(VParams);
% --- Initialize --- % --- Initialize ---
mkdir(sprintf(this.SaveDirectory)) mkdir(sprintf(this.SaveDirectory))
@ -20,7 +20,7 @@ function [Params, Transf, psi, V, VDk] = run(this)
fminconoptions = optimoptions('fmincon','Display','off','StepTolerance',1e-8); fminconoptions = optimoptions('fmincon','Display','off','StepTolerance',1e-8);
[psi,V,VDk,~] = this.initialize(Params,VParams,Transf); [psi,V,VDk] = this.initialize(Params,VParams,Transf);
ells(1) = VarArray(1); ells(1) = VarArray(1);
nus(1) = VarArray(2); nus(1) = VarArray(2);
E_Var = @(x) this.Calculator.calculateVariationalEnergy(psi,Params,x,Transf,VDk,V)/Params.N; E_Var = @(x) this.Calculator.calculateVariationalEnergy(psi,Params,x,Transf,VDk,V)/Params.N;
@ -34,9 +34,9 @@ function [Params, Transf, psi, V, VDk] = run(this)
VParams.ell = VarArray(1); VParams.ell = VarArray(1);
VParams.nu = VarArray(2); VParams.nu = VarArray(2);
[VParams] = find_nk_fit(VParams); [VParams] = this.Calculator.find_nk_fit(VParams);
[psi,V,VDk,~] = this.initialize(Params,VParams,Transf); [psi,V,VDk] = this.initialize(Params,VParams,Transf);
% --- Adding some noise --- % --- Adding some noise ---
Norm = trapz(abs(psi(:)).^2)*Transf.dx*Transf.dy; % normalisation Norm = trapz(abs(psi(:)).^2)*Transf.dx*Transf.dy; % normalisation
@ -69,4 +69,5 @@ function [Params, Transf, psi, V, VDk] = run(this)
end end
save(sprintf('./Data/Run_%03i/psi_gs.mat',runIdx),'psi','Observ','Transf','Params','VDk','V','VarArray'); save(sprintf('./Data/Run_%03i/psi_gs.mat',runIdx),'psi','Observ','Transf','Params','VDk','V','VarArray');
delete(sprintf('./Data/Run_%03i/psi_gs_*.mat',runIdx)) delete(sprintf('./Data/Run_%03i/psi_gs_*.mat',runIdx))
end end