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@ -21,7 +21,7 @@ OptionsStruct.Dimensions = [40, 40, 20];
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OptionsStruct.CutoffType = 'Cylindrical';
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OptionsStruct.SimulationMode = 'ImaginaryTimeEvolution'; % 'ImaginaryTimeEvolution' | 'RealTimeEvolution'
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OptionsStruct.TimeStepSize = 50E-6; % in s
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OptionsStruct.NumberOfTimeSteps = 10; % in s
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OptionsStruct.NumberOfTimeSteps = 100; % in s
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OptionsStruct.EnergyTolerance = 5E-10;
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OptionsStruct.SaveData = true;
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@ -17,8 +17,6 @@ function [psi] = propagateWavefunction(this,psi,Params,Transf,VDk,V,t_idx,Observ
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while t_idx < Params.sim_time_cut_off
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pb.run(t_idx);
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%kin
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psi = fftn(psi);
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psi = psi.*exp(-0.5*1i*dt*KEop);
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@ -81,6 +79,7 @@ function [psi] = propagateWavefunction(this,psi,Params,Transf,VDk,V,t_idx,Observ
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break
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end
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t_idx=t_idx+1;
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pb.run(100*t_idx/Params.sim_time_cut_off);
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end
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%Change in Energy
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@ -93,8 +92,11 @@ function [psi] = propagateWavefunction(this,psi,Params,Transf,VDk,V,t_idx,Observ
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Observ.PCVec = [Observ.PCVec PhaseC];
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Observ.res_idx = Observ.res_idx + 1;
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pb.run(' - Job Completed!');
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disp('Saving data...');
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save(sprintf('./Data/Run_%03i/psi_gs.mat',Params.njob),'psi','muchem','Observ','t_idx','Transf','Params','VDk','V');
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pb.run(' - Job Completed!\n');
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disp('Save complete!');
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case 'RealTimeEvolution'
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@ -109,8 +111,6 @@ function [psi] = propagateWavefunction(this,psi,Params,Transf,VDk,V,t_idx,Observ
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while t_idx < Params.sim_time_cut_off
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pb.run(t_idx);
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% Parameters at time t
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%kin
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@ -156,6 +156,7 @@ function [psi] = propagateWavefunction(this,psi,Params,Transf,VDk,V,t_idx,Observ
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break
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end
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t_idx=t_idx+1;
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pb.run(100*t_idx/Params.sim_time_cut_off);
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end
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%Change in Normalization
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@ -172,10 +173,12 @@ function [psi] = propagateWavefunction(this,psi,Params,Transf,VDk,V,t_idx,Observ
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Observ.PCVec = [Observ.PCVec PhaseC];
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Observ.tVecPlot = [Observ.tVecPlot tVal];
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Observ.res_idx = Observ.res_idx + 1;
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pb.run(' - Job Completed!');
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disp('Saving data...');
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save(sprintf('./Data/Run_%03i/TimeEvolution/psi_%i.mat',Params.njob,Observ.res_idx),'psi','muchem','Observ','t_idx');
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pb.run(' - Job Completed!\n');
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disp('Save complete!');
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otherwise
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disp('Choose a valid DDI cutoff type!')
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