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Added progress bar functionality.

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Karthik 2024-06-18 12:48:13 +02:00
parent e67f82b564
commit 1e94302160
14 changed files with 104 additions and 471 deletions
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68
Dipolar Gas Simulator/+Helper/ProgressBar.m Normal file
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@ -0,0 +1,68 @@
classdef ProgressBar < handle
% class for command-line progress-bar notification.
properties
strPercentageLength;
strDotsMaximum;
end
methods
%--- constructor
function this = ProgressBar()
%% Initialization
% Vizualization parameters
this.strPercentageLength = 10; % Length of percentage string (must be >5)
this.strDotsMaximum = 10; % The total number of dots in a progress bar
end
%--- print method
function run(this, msg)
% This function creates a text progress bar. It should be called with a
% STRING argument to initialize and terminate. Otherwise the number corresponding
% to progress in % should be supplied.
% INPUTS: C Either: Text string to initialize or terminate
% Percentage number to show progress
% OUTPUTS: N/A
% Example: Please refer to demo_textprogressbar.m
% Author: Paul Proteus (e-mail: proteus.paul (at) yahoo (dot) com)
% Version: 1.0
% Changes tracker: 29.06.2010 - First version
% Inspired by: http://blogs.mathworks.com/loren/2007/08/01/monitoring-progress-of-a-calculation/
%% Main
persistent strCR; % Carriage return pesistent variable
if isempty(strCR) && ~ischar(msg)
% Progress bar must be initialized with a string
error('The text progress must be initialized with a string!');
elseif isempty(strCR) && ischar(msg)
% Progress bar - initialization
fprintf('%s',msg);
strCR = -1;
elseif ~isempty(strCR) && ischar(msg)
% Progress bar - termination
strCR = [];
fprintf([msg '\n']);
elseif isnumeric(msg)
% Progress bar - normal progress
msg = floor(msg);
percentageOut = [num2str(msg) '%%'];
percentageOut = [percentageOut repmat(' ',1,this.strPercentageLength-length(percentageOut)-1)];
nDots = floor(msg/100*this.strDotsMaximum);
dotOut = ['[' repmat('.',1,nDots) repmat(' ',1,this.strDotsMaximum-nDots) ']'];
strOut = [percentageOut dotOut];
% Print it on the screen
if strCR == -1
% Don't do carriage return during first run
fprintf(strOut);
else
% Do it during all the other runs
fprintf([strCR strOut]);
end
% Update carriage return
strCR = repmat('\b',1,length(strOut)-1);
else
% Any other unexpected input
error('Unsupported argument type');
end
end
end
end

148
Dipolar Gas Simulator/+Helper/parforNotifications.m
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@ -1,148 +0,0 @@
% Copyright (c) 2019 Andrea Alberti
%
% All rights reserved.
classdef parforNotifications < handle
properties
N; % number of iterations
text = 'Please wait ...'; % text to show
width = 50;
showWarning = true;
end
properties (GetAccess = public, SetAccess = private)
n;
end
properties (Access = private)
inProgress = false;
percent;
DataQueue;
usePercent;
Nstr;
NstrL;
lastComment;
end
methods
function this = parforNotifications()
this.DataQueue = parallel.pool.DataQueue;
afterEach(this.DataQueue, @this.updateStatus);
end
% Start progress bar
function PB_start(this,N,varargin)
assert(isscalar(N) && isnumeric(N) && N == floor(N) && N>0, 'Error: ''N'' must be a scalar positive integer.');
this.N = N;
p = inputParser;
addParameter(p,'message','Please wait: ');
addParameter(p,'usePercentage',true);
parse(p,varargin{:});
this.text = p.Results.message;
assert(ischar(this.text), 'Error: ''Message'' must be a string.');
this.usePercent = p.Results.usePercentage;
assert(isscalar(this.usePercent) && islogical(this.usePercent), 'Error: ''usePercentage'' must be a logical scalar.');
this.percent = 0;
this.n = 0;
this.lastComment = '';
if this.usePercent
fprintf('%s [%s]: %3d%%\n',this.text, char(32*ones(1,this.width)),0);
else
this.Nstr = sprintf('%d',this.N);
this.NstrL = numel(this.Nstr);
fprintf('%s [%s]: %s/%s\n',this.text, char(32*ones(1,this.width)),[char(32*ones(1,this.NstrL-1)),'0'],this.Nstr);
end
this.inProgress = true;
end
% Iterate progress bar
function PB_iterate(this,str)
if nargin == 1
send(this.DataQueue,'');
else
send(this.DataQueue,str);
end
end
function warning(this,warn_id,msg)
if this.showWarning
msg = struct('Action','Warning','Id',warn_id,'Message',msg);
send(this.DataQueue,msg);
end
end
function PB_reprint(this)
p = round(100*this.n/this.N);
this.percent = p;
cursor_pos=1+round((this.width-1)*p/100);
if p < 100
sep_char = '|';
else
sep_char = '.';
end
if this.usePercent
fprintf('%s [%s%s%s]: %3d%%\n', this.text, char(46*ones(1,cursor_pos-1)), sep_char, char(32*ones(1,this.width-cursor_pos)),p);
else
nstr=sprintf('%d',this.n);
fprintf('%s [%s%s%s]: %s/%s\n', this.text, char(46*ones(1,cursor_pos-1)), sep_char, char(32*ones(1,this.width-cursor_pos)),[char(32*ones(1,this.NstrL-numel(nstr))),nstr],this.Nstr);
end
end
function updateStatus(this,data)
if ischar(data)
this.n = this.n + 1;
p = round(100*this.n/this.N);
if p >= this.percent+1 || this.n == this.N
this.percent = p;
cursor_pos=1+round((this.width-1)*p/100);
if p < 100
sep_char = '|';
else
sep_char = '.';
end
if ~isempty(data)
comment = [' (',data,')'];
else
comment = '';
end
if this.usePercent
fprintf('%s%s%s%s]: %3d%%%s\n',char(8*ones(1,58+numel(this.lastComment))), char(46*ones(1,cursor_pos-1)), sep_char, char(32*ones(1,this.width-cursor_pos)),p,comment);
else
nstr=sprintf('%d',this.n);
fprintf('%s%s%s%s]: %s/%s%s\n',char(8*ones(1,55+2*numel(this.Nstr)+numel(this.lastComment))), char(46*ones(1,cursor_pos-1)), sep_char, char(32*ones(1,this.width-cursor_pos)),[char(32*ones(1,this.NstrL-numel(nstr))),nstr],this.Nstr,comment)
end
this.lastComment = comment;
if p == 100
this.inProgress = false;
end
end
else
switch data.Action
case 'Warning'
warning(data.Id,[data.Message,newline]);
if this.inProgress
this.PB_reprint();
end
end
end
end
end
end

2
Dipolar Gas Simulator/+Scripts/test.m
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@ -21,7 +21,7 @@ OptionsStruct.Dimensions = [40, 40, 20];
OptionsStruct.CutoffType = 'Cylindrical'; OptionsStruct.CutoffType = 'Cylindrical';
OptionsStruct.SimulationMode = 'ImaginaryTimeEvolution'; % 'ImaginaryTimeEvolution' | 'RealTimeEvolution' OptionsStruct.SimulationMode = 'ImaginaryTimeEvolution'; % 'ImaginaryTimeEvolution' | 'RealTimeEvolution'
OptionsStruct.TimeStepSize = 50E-6; % in s OptionsStruct.TimeStepSize = 50E-6; % in s
OptionsStruct.NumberOfTimeSteps = 2E6; % in s OptionsStruct.NumberOfTimeSteps = 10; % in s
OptionsStruct.EnergyTolerance = 5E-10; OptionsStruct.EnergyTolerance = 5E-10;
OptionsStruct.SaveData = true; OptionsStruct.SaveData = true;

29
Dipolar Gas Simulator/+Simulator/@Calculator/calculateChemicalPotential.m
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@ -1,29 +0,0 @@
function muchem = calculateChemicalPotential(~,psi,Params,Transf,VDk,V)
%Parameters
normfac = Params.Lx*Params.Ly*Params.Lz/numel(psi);
KEop= 0.5*(Transf.KX.^2+Transf.KY.^2+Transf.KZ.^2);
% DDIs
frho=fftn(abs(psi).^2);
Phi=real(ifftn(frho.*VDk));
Eddi = (Params.gdd*Phi.*abs(psi).^2);
%Kinetic energy
Ekin = KEop.*abs(fftn(psi)*normfac).^2;
Ekin = trapz(Ekin(:))*Transf.dkx*Transf.dky*Transf.dkz/(2*pi)^3;
%Potential energy
Epot = V.*abs(psi).^2;
%Contact interactions
Eint = Params.gs*abs(psi).^4;
%Quantum fluctuations
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

35
Dipolar Gas Simulator/+Simulator/@Calculator/calculateEnergyComponents.m
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@ -1,35 +0,0 @@
function E = calculateEnergyComponents(~,psi,Params,Transf,VDk,V)
%Parameters
KEop= 0.5*(Transf.KX.^2+Transf.KY.^2+Transf.KZ.^2);
normfac = Params.Lx*Params.Ly*Params.Lz/numel(psi);
% DDIs
frho = fftn(abs(psi).^2);
Phi = real(ifftn(frho.*VDk));
Eddi = 0.5*Params.gdd*Phi.*abs(psi).^2;
E.Eddi = trapz(Eddi(:))*Transf.dx*Transf.dy*Transf.dz;
% EddiTot = trapz(Eddi(:))*Transf.dx*Transf.dy*Transf.dz;
%Kinetic energy
% psik = ifftshift(fftn(fftshift(psi)))*normfac;
Ekin = KEop.*abs(fftn(psi)*normfac).^2;
E.Ekin = trapz(Ekin(:))*Transf.dkx*Transf.dky*Transf.dkz/(2*pi)^3;
% Potential energy
Epot = V.*abs(psi).^2;
E.Epot = trapz(Epot(:))*Transf.dx*Transf.dy*Transf.dz;
%Contact interactions
Eint = 0.5*Params.gs*abs(psi).^4;
E.Eint = trapz(Eint(:))*Transf.dx*Transf.dy*Transf.dz;
%Quantum fluctuations
Eqf = 0.4*Params.gammaQF*abs(psi).^5;
E.Eqf = trapz(Eqf(:))*Transf.dx*Transf.dy*Transf.dz;
end

25
Dipolar Gas Simulator/+Simulator/@Calculator/calculateNormalizedResiduals.m
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@ -1,25 +0,0 @@
function res = calculateNormalizedResiduals(~,psi,Params,Transf,VDk,V,muchem)
KEop= 0.5*(Transf.KX.^2+Transf.KY.^2+Transf.KZ.^2);
% DDIs
frho=fftn(abs(psi).^2);
Phi=real(ifftn(frho.*VDk));
Eddi = Params.gdd*Phi.*psi;
%Kinetic energy
Ekin = ifftn(KEop.*fftn(psi));
%Potential energy
Epot = V.*psi;
%Contact interactions
Eint = Params.gs*abs(psi).^2.*psi;
%Quantum fluctuations
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

39
Dipolar Gas Simulator/+Simulator/@Calculator/calculateNumericalHankelTransform.m
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@ -1,39 +0,0 @@
function VDkSemi = calculateNumericalHankelTransform(~,kr,kz,Rmax,Zmax,Nr)
% accuracy inputs for numerical integration
if(nargin==5)
Nr = 5e4;
end
Nz = 64;
farRmultiple = 2000;
% midpoint grids for the integration over 0<z<Zmax, Rmax<r<farRmultiple*Rmax (i.e. starts at Rmax)
dr=(farRmultiple-1)*Rmax/Nr;
r = ((1:Nr)'-0.5)*dr+Rmax;
dz=Zmax/Nz;
z = ((1:Nz)-0.5)*dz;
[R, Z] = ndgrid(r,z);
Rsq = R.^2 + Z.^2;
% real space interaction to be transformed
igrandbase = (1 - 3*Z.^2./Rsq)./Rsq.^(3/2);
% do the Hankel/Fourier-Bessel transform numerically
% prestore to ensure each besselj is only calculated once
% cell is faster than (:,:,krn) slicing
Nkr = numel(kr);
besselr = cell(Nkr,1);
for krn = 1:Nkr
besselr{krn} = repmat(r.*besselj(0,kr(krn)*r),1,Nz);
end
VDkSemi = zeros([Nkr,numel(kz)]);
for kzn = 1:numel(kz)
igrandbasez = repmat(cos(kz(kzn)*z),Nr,1) .* igrandbase;
for krn = 1:Nkr
igrand = igrandbasez.*besselr{krn};
VDkSemi(krn,kzn) = VDkSemi(krn,kzn) - sum(igrand(:))*dz*dr;
end
end
end

58
Dipolar Gas Simulator/+Simulator/@Calculator/calculateOrderParameter.m
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@ -1,58 +0,0 @@
function [m_Order] = calculateOrderParameter(~,psi,Transf,Params,VDk,V,T,muchem)
NumRealiz = 100;
Mx = numel(Transf.x);
My = numel(Transf.y);
Mz = numel(Transf.z);
r = normrnd(0,1,size(psi));
theta = rand(size(psi));
noise = r.*exp(2*pi*1i*theta);
KEop= 0.5*(Transf.KX.^2+Transf.KY.^2+Transf.KZ.^2);
Gamma = 1-1i*Params.gamma_S;
dt = Params.dt;
avgpsi = 0;
avgpsi2 = 0;
for jj = 1:NumRealiz
%generate initial state
xi = sqrt(2*Params.gamma_S*Params.kbol*T*10^(-9)*dt/(Params.hbar*Params.w0*Transf.dx*Transf.dy*Transf.dz));
swapx = randi(length(Transf.x),1,length(Transf.x));
swapy = randi(length(Transf.y),1,length(Transf.y));
swapz = randi(length(Transf.z),1,length(Transf.z));
psi_j = psi + xi * noise(swapx,swapy,swapz);
% --- % propagate forward in time 1 time step:
%kin
psi_j = fftn(psi_j);
psi_j = psi_j.*exp(-0.5*1i*Gamma*dt*KEop);
psi_j = ifftn(psi_j);
%DDI
frho = fftn(abs(psi_j).^2);
Phi = real(ifftn(frho.*VDk));
%Real-space
psi_j = psi_j.*exp(-1i*Gamma*dt*(V + Params.gs*abs(psi_j).^2 + Params.gammaQF*abs(psi_j).^3 + Params.gdd*Phi - muchem));
%kin
psi_j = fftn(psi_j);
psi_j = psi_j.*exp(-0.5*1i*Gamma*dt*KEop);
psi_j = ifftn(psi_j);
%Projection
kcut = sqrt(2*Params.e_cut);
K = (Transf.KX.^2+Transf.KY.^2+Transf.KZ.^2)<kcut.^2;
psi_j = ifftn(K.*fftn(psi_j));
% --- %
avgpsi = avgpsi + abs(sum(psi_j(:)))/NumRealiz;
avgpsi2 = avgpsi2 + sum(abs(psi_j(:)).^2)/NumRealiz;
end
m_Order = 1/sqrt(Mx*My*Mz)*avgpsi/sqrt(avgpsi2);
end

19
Dipolar Gas Simulator/+Simulator/@Calculator/calculatePhaseCoherence.m
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@ -1,19 +0,0 @@
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);
NumGlobalShifts = 800;
betas = []; phishift = [];
for jj = 1:NumGlobalShifts
phishift(jj) = -pi + 2*pi*(jj-1)/NumGlobalShifts;
betas(jj) = sum(sum(sum(abs(angle(psi*exp(-1i*phishift(jj)))).*abs(psi).^2)));
end
[minbeta,minidx] = min(betas);
psi = psi*exp(-1i*phishift(minidx));
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

32
Dipolar Gas Simulator/+Simulator/@Calculator/calculateTotalEnergy.m
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@ -1,32 +0,0 @@
function E = calculateTotalEnergy(~,psi,Params,Transf,VDk,V)
%Parameters
KEop= 0.5*(Transf.KX.^2+Transf.KY.^2+Transf.KZ.^2);
normfac = Params.Lx*Params.Ly*Params.Lz/numel(psi);
% DDIs
frho = fftn(abs(psi).^2);
Phi = real(ifftn(frho.*VDk));
Eddi = 0.5*Params.gdd*Phi.*abs(psi).^2;
% EddiTot = trapz(Eddi(:))*Transf.dx*Transf.dy*Transf.dz;
%Kinetic energy
% psik = ifftshift(fftn(fftshift(psi)))*normfac;
Ekin = KEop.*abs(fftn(psi)*normfac).^2;
Ekin = trapz(Ekin(:))*Transf.dkx*Transf.dky*Transf.dkz/(2*pi)^3;
% Potential energy
Epot = V.*abs(psi).^2;
%Contact interactions
Eint = 0.5*Params.gs*abs(psi).^4;
%Quantum fluctuations
Eqf = 0.4*Params.gammaQF*abs(psi).^5;
E = Ekin + trapz(Epot(:) + Eint(:) + Eddi(:) + Eqf(:))*Transf.dx*Transf.dy*Transf.dz;
end

64
Dipolar Gas Simulator/+Simulator/@Calculator/calculateVDCutoff.m
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@ -1,64 +0,0 @@
function VDk = calculateVDCutoff(this,Params,Transf,TransfRad)
% makes the dipolar interaction matrix, size numel(Params.kr) * numel(Params.kz)
% Rmax and Zmax are the interaction cutoffs
% VDk needs to be multiplied by Cdd
% approach is that of Lu, PRA 82, 023622 (2010)
% == Calulating the DDI potential in Fourier space with appropriate cutoff == %
% Cylindrical (semianalytic)
% Cylindrical infinite Z, polarized along x (analytic)
% Spherical
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));
alph(1) = pi/2;
% Analytic part of cutoff for slice 0<z<Zmax, 0<r<Inf Ronen, PRL 98, 030406 (2007)
cossq = cos(alph).^2;
VDk = cossq-1/3;
sinsq = 1 - cossq;
VDk = VDk + exp(-Zcutoff*sqrt(Transf.KX.^2+Transf.KY.^2)).*( sinsq .* cos(Zcutoff * Transf.KZ) - sqrt(sinsq.*cossq).*sin(Zcutoff * Transf.KZ) );
% Nonanalytic part
% For a cylindrical cutoff, we need to construct a kr grid based on the 3D parameters using Bessel quadrature
VDkNon = this.calculateNumericalHankelTransform(TransfRad.kr, TransfRad.kz, TransfRad.Rmax, Zcutoff);
% Interpolating the nonanalytic part onto 3D grid
fullkr = [-flip(TransfRad.kr)',TransfRad.kr'];
[KR,KZ] = ndgrid(fullkr,TransfRad.kz);
[KX3D,KY3D,KZ3D] = ndgrid(ifftshift(Transf.kx),ifftshift(Transf.ky),ifftshift(Transf.kz));
KR3D = sqrt(KX3D.^2 + KY3D.^2);
fullVDK = [flip(VDkNon',2),VDkNon']';
VDkNon = interpn(KR,KZ,fullVDK,KR3D,KZ3D,'spline',0); %Last argument is -1/3 for full VDk. 0 for nonanalytic piece?
VDkNon = fftshift(VDkNon);
VDk = VDk + VDkNon;
case 'CylindricalInfiniteZ' %Cylindrical infinite Z, polarized along x -- PRA 107, 033301 (2023)
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;
rhoc = max([abs(Transf.x),abs(Transf.y)]);
KR = sqrt(Transf.KX.^2+Transf.KY.^2);
func = @(n,u,v) v.^2./(u.^2+v.^2).*(v.*besselj(n,u).*besselk(n+1,v) - u.*besselj(n+1,u).*besselk(n,v));
VDk = -0.5*func(0,KR*rhoc,abs(Transf.KZ)*rhoc) + (Transf.KX.^2./KR.^2 - 0.5).*func(2,KR*rhoc,abs(Transf.KZ)*rhoc);
VDk = (1/3)*(3*(cos(alph).^2)-1) - VDk;
VDk(KR==0) = -1/3 + 1/2*abs(Transf.KZ(KR==0))*rhoc.*besselk(1,abs(Transf.KZ(KR==0))*rhoc);
VDk(Transf.KZ==0) = 1/6 + (Transf.KX(Transf.KZ==0).^2-Transf.KY(Transf.KZ==0).^2)./(KR(Transf.KZ==0).^2).*(1/2 - besselj(1,KR(Transf.KZ==0)*rhoc)./(KR(Transf.KZ==0)*rhoc));
VDk(1,1,1) = 1/6;
case 'Spherical' %Spherical
Rcut = min(Params.Lx/2,Params.Ly/2,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));
alph(1) = pi/2;
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));
otherwise
disp('Choose a valid DDI cutoff type!')
return
end
end

48
Dipolar Gas Simulator/+Simulator/@DipolarGas/propagateWavefunction.m
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@ -1,4 +1,4 @@
function [psi] = propagateWavefunction(this,psi,Params,Transf,VDk,V,njob,t_idx,Observ) function [psi] = propagateWavefunction(this,psi,Params,Transf,VDk,V,t_idx,Observ)
set(0,'defaulttextInterpreter','latex') set(0,'defaulttextInterpreter','latex')
set(groot, 'defaultAxesTickLabelInterpreter','latex'); set(groot, 'defaultLegendInterpreter','latex'); set(groot, 'defaultAxesTickLabelInterpreter','latex'); set(groot, 'defaultLegendInterpreter','latex');
@ -9,10 +9,16 @@ function [psi] = propagateWavefunction(this,psi,Params,Transf,VDk,V,njob,t_idx,O
KEop= 0.5*(Transf.KX.^2+Transf.KY.^2+Transf.KZ.^2); KEop= 0.5*(Transf.KX.^2+Transf.KY.^2+Transf.KZ.^2);
Observ.residual = 1; Observ.res = 1; Observ.residual = 1; Observ.res = 1;
muchem = this.Calculator.ChemicalPotential(psi,Params,Transf,VDk,V); muchem = this.Calculator.calculateChemicalPotential(psi,Params,Transf,VDk,V);
AdaptIdx = 0; AdaptIdx = 0;
pb = Helper.ProgressBar();
pb.run('Running evolution in imaginary time: ');
while t_idx < Params.sim_time_cut_off while t_idx < Params.sim_time_cut_off
pb.run(t_idx);
%kin %kin
psi = fftn(psi); psi = fftn(psi);
psi = psi.*exp(-0.5*1i*dt*KEop); psi = psi.*exp(-0.5*1i*dt*KEop);
@ -34,12 +40,12 @@ function [psi] = propagateWavefunction(this,psi,Params,Transf,VDk,V,njob,t_idx,O
Norm = trapz(abs(psi(:)).^2)*Transf.dx*Transf.dy*Transf.dz; Norm = trapz(abs(psi(:)).^2)*Transf.dx*Transf.dy*Transf.dz;
psi = sqrt(Params.N)*psi/sqrt(Norm); psi = sqrt(Params.N)*psi/sqrt(Norm);
muchem = this.Calculator.ChemicalPotential(psi,Params,Transf,VDk,V); muchem = this.Calculator.calculateChemicalPotential(psi,Params,Transf,VDk,V);
if mod(t_idx,1000) == 0 if mod(t_idx,1000) == 0
%Change in Energy %Change in Energy
E = this.Calculator.TotalEnergy(psi,Params,Transf,VDk,V); E = this.Calculator.calculateTotalEnergy(psi,Params,Transf,VDk,V);
E = E/Norm; E = E/Norm;
Observ.EVec = [Observ.EVec E]; Observ.EVec = [Observ.EVec E];
@ -47,12 +53,12 @@ function [psi] = propagateWavefunction(this,psi,Params,Transf,VDk,V,njob,t_idx,O
Observ.mucVec = [Observ.mucVec muchem]; Observ.mucVec = [Observ.mucVec muchem];
%Normalized residuals %Normalized residuals
res = this.Calculator.NormalizedResiduals(psi,Params,Transf,VDk,V,muchem); res = this.Calculator.calculateNormalizedResiduals(psi,Params,Transf,VDk,V,muchem);
Observ.residual = [Observ.residual res]; Observ.residual = [Observ.residual res];
Observ.res_idx = Observ.res_idx + 1; Observ.res_idx = Observ.res_idx + 1;
save(sprintf('./Data/Run_%03i/psi_gs.mat',njob),'psi','muchem','Observ','t_idx','Transf','Params','VDk','V'); save(sprintf('./Data/Run_%03i/psi_gs.mat',Params.njob),'psi','muchem','Observ','t_idx','Transf','Params','VDk','V');
%Adaptive time step -- Careful, this can quickly get out of control %Adaptive time step -- Careful, this can quickly get out of control
relres = abs(Observ.residual(Observ.res_idx)-Observ.residual(Observ.res_idx-1))/Observ.residual(Observ.res_idx); relres = abs(Observ.residual(Observ.res_idx)-Observ.residual(Observ.res_idx-1))/Observ.residual(Observ.res_idx);
@ -78,16 +84,17 @@ function [psi] = propagateWavefunction(this,psi,Params,Transf,VDk,V,njob,t_idx,O
end end
%Change in Energy %Change in Energy
E = this.Calculator.TotalEnergy(psi,Params,Transf,VDk,V); E = this.Calculator.calculateTotalEnergy(psi,Params,Transf,VDk,V);
E = E/Norm; E = E/Norm;
Observ.EVec = [Observ.EVec E]; Observ.EVec = [Observ.EVec E];
% Phase coherence % Phase coherence
[PhaseC] = this.Calculator.PhaseCoherence(psi,Transf,Params); [PhaseC] = this.Calculator.calculatePhaseCoherence(psi,Transf,Params);
Observ.PCVec = [Observ.PCVec PhaseC]; Observ.PCVec = [Observ.PCVec PhaseC];
Observ.res_idx = Observ.res_idx + 1; Observ.res_idx = Observ.res_idx + 1;
save(sprintf('./Data/Run_%03i/psi_gs.mat',njob),'psi','muchem','Observ','t_idx','Transf','Params','VDk','V'); save(sprintf('./Data/Run_%03i/psi_gs.mat',Params.njob),'psi','muchem','Observ','t_idx','Transf','Params','VDk','V');
pb.run(' - Job Completed!\n');
case 'RealTimeEvolution' case 'RealTimeEvolution'
@ -95,9 +102,15 @@ function [psi] = propagateWavefunction(this,psi,Params,Transf,VDk,V,njob,t_idx,O
KEop= 0.5*(Transf.KX.^2+Transf.KY.^2+Transf.KZ.^2); KEop= 0.5*(Transf.KX.^2+Transf.KY.^2+Transf.KZ.^2);
muchem = chemicalpotential(psi,Params,Transf,VDk,V); muchem = this.Calculator.calculateChemicalPotential(psi,Params,Transf,VDk,V);
pb = Helper.ProgressBar();
pb.run('Running evolution in real time: ');
while t_idx < Params.sim_time_cut_off while t_idx < Params.sim_time_cut_off
pb.run(t_idx);
% Parameters at time t % Parameters at time t
%kin %kin
@ -117,7 +130,7 @@ function [psi] = propagateWavefunction(this,psi,Params,Transf,VDk,V,njob,t_idx,O
psi = psi.*exp(-0.5*1i*dt*KEop); psi = psi.*exp(-0.5*1i*dt*KEop);
psi = ifftn(psi); psi = ifftn(psi);
muchem = chemicalpotential(psi,Params,Transf,VDk,V); muchem = this.Calculator.calculateChemicalPotential(psi,Params,Transf,VDk,V);
if mod(t_idx,1000)==0 if mod(t_idx,1000)==0
%Change in Normalization %Change in Normalization
@ -125,18 +138,18 @@ function [psi] = propagateWavefunction(this,psi,Params,Transf,VDk,V,njob,t_idx,O
Observ.NormVec = [Observ.NormVec Norm]; Observ.NormVec = [Observ.NormVec Norm];
%Change in Energy %Change in Energy
E = energytotal(psi,Params,Transf,VDk,V); E = this.Calculator.calculateTotalEnergy(psi,Params,Transf,VDk,V);
E = E/Norm; E = E/Norm;
Observ.EVec = [Observ.EVec E]; Observ.EVec = [Observ.EVec E];
% Phase coherence % Phase coherence
[PhaseC] = PhaseCoherence(psi,Transf); [PhaseC] = this.Calculator.calculatePhaseCoherence(psi,Transf);
Observ.PCVec = [Observ.PCVec PhaseC]; Observ.PCVec = [Observ.PCVec PhaseC];
Observ.tVecPlot = [Observ.tVecPlot tVal]; Observ.tVecPlot = [Observ.tVecPlot tVal];
Observ.res_idx = Observ.res_idx + 1; Observ.res_idx = Observ.res_idx + 1;
save(sprintf('./Data/Run_%03i/TimeEvolution/psi_%i.mat',njob,Observ.res_idx),'psi','muchem','Observ','t_idx'); save(sprintf('./Data/Run_%03i/TimeEvolution/psi_%i.mat',Params.njob,Observ.res_idx),'psi','muchem','Observ','t_idx');
end end
if any(isnan(psi(:))) if any(isnan(psi(:)))
disp('NaNs encountered!') disp('NaNs encountered!')
@ -150,18 +163,19 @@ function [psi] = propagateWavefunction(this,psi,Params,Transf,VDk,V,njob,t_idx,O
Observ.NormVec = [Observ.NormVec Norm]; Observ.NormVec = [Observ.NormVec Norm];
%Change in Energy %Change in Energy
E = energytotal(psi,Params,Transf,VDk,V); E = this.Calculator.calculateTotalEnergy(psi,Params,Transf,VDk,V);
E = E/Norm; E = E/Norm;
Observ.EVec = [Observ.EVec E]; Observ.EVec = [Observ.EVec E];
% Phase coherence % Phase coherence
[PhaseC] = PhaseCoherence(psi,Transf); [PhaseC] = this.Calculator.calculatePhaseCoherence(psi,Transf);
Observ.PCVec = [Observ.PCVec PhaseC]; Observ.PCVec = [Observ.PCVec PhaseC];
Observ.tVecPlot = [Observ.tVecPlot tVal]; Observ.tVecPlot = [Observ.tVecPlot tVal];
Observ.res_idx = Observ.res_idx + 1; Observ.res_idx = Observ.res_idx + 1;
save(sprintf('./Data/Run_%03i/TimeEvolution/psi_%i.mat',njob,Observ.res_idx),'psi','muchem','Observ','t_idx'); save(sprintf('./Data/Run_%03i/TimeEvolution/psi_%i.mat',Params.njob,Observ.res_idx),'psi','muchem','Observ','t_idx');
pb.run(' - Job Completed!\n');
otherwise otherwise
disp('Choose a valid DDI cutoff type!') disp('Choose a valid DDI cutoff type!')

4
Dipolar Gas Simulator/+Simulator/@DipolarGas/run.m
View File

@ -17,6 +17,6 @@ function [Params, Transf, psi,V,VDk] = run(this)
Observ.res_idx = 1; Observ.res_idx = 1;
% --- Run Simulation --- % --- Run Simulation ---
% mkdir(sprintf('./Data/Run_%03i',Params.njob)) mkdir(sprintf('./Data/Run_%03i',Params.njob))
% [psi] = this.propagateWavefunction(psi,Params,Transf,VDk,V,njob,t_idx,Observ); [psi] = this.propagateWavefunction(psi,Params,Transf,VDk,V,t_idx,Observ);
end end