Latest working version!
This commit is contained in:
parent
3a4419fe67
commit
263805dd7a
@ -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 = 10; % in s
|
OptionsStruct.NumberOfTimeSteps = 100; % in s
|
||||||
OptionsStruct.EnergyTolerance = 5E-10;
|
OptionsStruct.EnergyTolerance = 5E-10;
|
||||||
|
|
||||||
OptionsStruct.SaveData = true;
|
OptionsStruct.SaveData = true;
|
||||||
|
@ -17,8 +17,6 @@ function [psi] = propagateWavefunction(this,psi,Params,Transf,VDk,V,t_idx,Observ
|
|||||||
|
|
||||||
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);
|
||||||
@ -81,6 +79,7 @@ function [psi] = propagateWavefunction(this,psi,Params,Transf,VDk,V,t_idx,Observ
|
|||||||
break
|
break
|
||||||
end
|
end
|
||||||
t_idx=t_idx+1;
|
t_idx=t_idx+1;
|
||||||
|
pb.run(100*t_idx/Params.sim_time_cut_off);
|
||||||
end
|
end
|
||||||
|
|
||||||
%Change in Energy
|
%Change in Energy
|
||||||
@ -93,8 +92,11 @@ function [psi] = propagateWavefunction(this,psi,Params,Transf,VDk,V,t_idx,Observ
|
|||||||
Observ.PCVec = [Observ.PCVec PhaseC];
|
Observ.PCVec = [Observ.PCVec PhaseC];
|
||||||
|
|
||||||
Observ.res_idx = Observ.res_idx + 1;
|
Observ.res_idx = Observ.res_idx + 1;
|
||||||
|
|
||||||
|
pb.run(' - Job Completed!');
|
||||||
|
disp('Saving data...');
|
||||||
save(sprintf('./Data/Run_%03i/psi_gs.mat',Params.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');
|
disp('Save complete!');
|
||||||
|
|
||||||
case 'RealTimeEvolution'
|
case 'RealTimeEvolution'
|
||||||
|
|
||||||
@ -109,8 +111,6 @@ function [psi] = propagateWavefunction(this,psi,Params,Transf,VDk,V,t_idx,Observ
|
|||||||
|
|
||||||
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
|
||||||
@ -156,6 +156,7 @@ function [psi] = propagateWavefunction(this,psi,Params,Transf,VDk,V,t_idx,Observ
|
|||||||
break
|
break
|
||||||
end
|
end
|
||||||
t_idx=t_idx+1;
|
t_idx=t_idx+1;
|
||||||
|
pb.run(100*t_idx/Params.sim_time_cut_off);
|
||||||
end
|
end
|
||||||
|
|
||||||
%Change in Normalization
|
%Change in Normalization
|
||||||
@ -172,10 +173,12 @@ function [psi] = propagateWavefunction(this,psi,Params,Transf,VDk,V,t_idx,Observ
|
|||||||
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;
|
||||||
|
|
||||||
|
pb.run(' - Job Completed!');
|
||||||
|
disp('Saving data...');
|
||||||
save(sprintf('./Data/Run_%03i/TimeEvolution/psi_%i.mat',Params.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');
|
disp('Save complete!');
|
||||||
|
|
||||||
otherwise
|
otherwise
|
||||||
disp('Choose a valid DDI cutoff type!')
|
disp('Choose a valid DDI cutoff type!')
|
||||||
|
Loading…
Reference in New Issue
Block a user