karthik/Calculations
1
0
Fork 0
Code Issues Pull Requests Projects Releases Wiki Activity

Added progress bar functionality.

Browse Source
This commit is contained in:
Karthik 2024-06-18 12:48:13 +02:00
parent e67f82b564
commit 1e94302160
14 changed files with 104 additions and 471 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

68
Dipolar Gas Simulator/+Helper/ProgressBar.m Normal file
View File

@ -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
View File

@ -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
View File

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

29
Dipolar Gas Simulator/+Simulator/@Calculator/calculateChemicalPotential.m
View File

@ -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
View File

@ -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
View File

@ -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
View File

@ -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
View File

@ -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
View File

@ -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
View File

@ -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
View File

@ -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
View File

@ -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(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);
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;
pb = Helper.ProgressBar();
pb.run('Running evolution in imaginary time: ');
while t_idx < Params.sim_time_cut_off
pb.run(t_idx);
%kin
psi = fftn(psi);
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;
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
%Change in Energy
E = this.Calculator.TotalEnergy(psi,Params,Transf,VDk,V);
E = this.Calculator.calculateTotalEnergy(psi,Params,Transf,VDk,V);
E = E/Norm;
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];
%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.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
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
%Change in Energy
E = this.Calculator.TotalEnergy(psi,Params,Transf,VDk,V);
E = this.Calculator.calculateTotalEnergy(psi,Params,Transf,VDk,V);
E = E/Norm;
Observ.EVec = [Observ.EVec E];
% Phase coherence
[PhaseC] = this.Calculator.PhaseCoherence(psi,Transf,Params);
[PhaseC] = this.Calculator.calculatePhaseCoherence(psi,Transf,Params);
Observ.PCVec = [Observ.PCVec PhaseC];
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'
@ -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);
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
pb.run(t_idx);
% Parameters at time t
%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 = ifftn(psi);
muchem = chemicalpotential(psi,Params,Transf,VDk,V);
muchem = this.Calculator.calculateChemicalPotential(psi,Params,Transf,VDk,V);
if mod(t_idx,1000)==0
%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];
%Change in Energy
E = energytotal(psi,Params,Transf,VDk,V);
E = this.Calculator.calculateTotalEnergy(psi,Params,Transf,VDk,V);
E = E/Norm;
Observ.EVec = [Observ.EVec E];
% Phase coherence
[PhaseC] = PhaseCoherence(psi,Transf);
[PhaseC] = this.Calculator.calculatePhaseCoherence(psi,Transf);
Observ.PCVec = [Observ.PCVec PhaseC];
Observ.tVecPlot = [Observ.tVecPlot tVal];
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
if any(isnan(psi(:)))
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];
%Change in Energy
E = energytotal(psi,Params,Transf,VDk,V);
E = this.Calculator.calculateTotalEnergy(psi,Params,Transf,VDk,V);
E = E/Norm;
Observ.EVec = [Observ.EVec E];
% Phase coherence
[PhaseC] = PhaseCoherence(psi,Transf);
[PhaseC] = this.Calculator.calculatePhaseCoherence(psi,Transf);
Observ.PCVec = [Observ.PCVec PhaseC];
Observ.tVecPlot = [Observ.tVecPlot tVal];
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
disp('Choose a valid DDI cutoff type!')

6
Dipolar Gas Simulator/+Simulator/@DipolarGas/run.m
View File

@ -13,10 +13,10 @@ function [Params, Transf, psi,V,VDk] = run(this)
[psi,V,VDk] = this.initialize(Params,Transf,TransfRad);
Observ.EVec = []; Observ.NormVec = []; Observ.PCVec = []; Observ.tVecPlot = []; Observ.mucVec = [];
t_idx = 1; %Start at t = 0;
t_idx = 1; % Start at t = 0;
Observ.res_idx = 1;
% --- Run Simulation ---
% mkdir(sprintf('./Data/Run_%03i',Params.njob))
% [psi] = this.propagateWavefunction(psi,Params,Transf,VDk,V,njob,t_idx,Observ);
mkdir(sprintf('./Data/Run_%03i',Params.njob))
[psi] = this.propagateWavefunction(psi,Params,Transf,VDk,V,t_idx,Observ);
end