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Time invariance for sampling of density matrix #178

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Time invariance for sampling of density matrix #178

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ec147
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@ec147 ec147 commented Jul 29, 2024 •
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  • Use of time invariance for the sampling of the density matrix. This can be activated with the parameter time_invariance=True.
  • In the formula for the lazy trace evaluation, $\sqrt{dim(B)} e^{-\Delta \tau E_{min}}$ has been replaced with $\dim(B) e^{-\Delta \tau E_{min}}$
  • The threshold on the trace of the density matrix in density_matrix.cpp is overly aggressive and prevented me from doing my calculations at low temperatures. I have deleted it for now, but maybe the value of the threshold could be added as a parameter ?
  • Deletion of the check preventing the user of using the trace as weight when sampling the density matrix. I do not understand why you do not allow it.

@Wentzell
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Thank you @ec147 for this Pull Request!

Please add a description of the Feature and the changes to this PR.

Also, can you please adjust the git history to group the changes into
logical chunks with useful commit messages, instead of generic
messages like Add files via upload

@ec147 ec147 force-pushed the time_invariance branch from 66a0a24 to d367dd1 Compare July 30, 2024 11:16
@ec147
Use of time invariance for sampling of the density matrix
bbfd1a8 
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Delete solver_core.hpp

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test

test2
@ec147 ec147 force-pushed the time_invariance branch from d367dd1 to bbfd1a8 Compare August 5, 2024 08:27
@ec147
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ec147 commented Sep 11, 2024

Hi,
Just to check how the review process is progressing. Would it be possible to have an estimate of how long it is going to take ?

@Wentzell
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Dear @ec147,

We have started our work on Monte Carlo related improvements with @Thoemi09,
c.f. TRIQS/triqs#962
Once those mc_generic changes are finalized we will move to
auto-correlation and error analysis before moving to more specific cthyb topics
including the one in this PR.

I hope this helps, sorry to not have a precise time-line for you.

@Wentzell
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Thank you again for your work and proposed changes!

@ec147
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ec147 commented Sep 12, 2024

Dear @Wentzell,

Thanks for the update. I understand, you have some constraints and some deadlines to meet.
But would it be possible to have at least a rough estimate ? Are we talking a few weeks ? A few months ?
I only have a temporary position in my lab, so I really need to have an idea of how long this is going to take in order to get organized.

Best

@Wentzell
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Dear @ec147,

We will move to the TRIQS CTQMC improvements in the coming months.

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@ec147 @Wentzell