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Time invariance for sampling of density matrix#178

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ec147 wants to merge 6 commits intoTRIQS:unstablefrom
ec147:time_invariance
Open

Time invariance for sampling of density matrix#178
ec147 wants to merge 6 commits intoTRIQS:unstablefrom
ec147:time_invariance

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@ec147
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@ec147 ec147 commented Jul 29, 2024

  • Use of time invariance for more efficient sampling of the density matrix. This can be activated with the parameter time_invariance=True.
  • At the end of the run, when checking that the trace of the density matrix is close to 1, only the warning is printed now. The error threshold has been deleted,
    since it is overly aggressive at low T for instance.
  • A test has been added.

@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
Add files via upload

Add files via upload

Add files via upload

Add files via upload

Add files via upload

Add files via upload

Delete solver_core.hpp

Delete configuration.hpp

Delete solver_core.cpp

Delete qmc_data.hpp

Delete parameters.hpp

Delete impurity_trace.hpp

Add files via upload

Update CMakeLists.txt

fixes.cpp

Update qmc_data.hpp

Update solver_core.hpp

Update configuration.hpp

Update solver_core.cpp

Update parameters.hpp

Update solver_core.cpp

Update insert.hpp

Update insert.cpp

Update remove.hpp

Update remove.cpp

Update insert.hpp

Update insert.cpp

Update remove.hpp

Update remove.cpp

Update insert.cpp

Update remove.cpp

Update insert.cpp

Update remove.cpp

Update solver_core.cpp

Update update_time.hpp

Add files via upload

Delete c++/triqs_cthyb/measures/update_time.hpp

Add files via upload

Update parameters.cpp

Update parameters.hpp

Update solver_core_desc.py

Update impurity_trace.cpp

Update impurity_trace.cpp

Update impurity_trace.cpp

Update impurity_trace.cpp

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.

@ec147 ec147 closed this Jan 16, 2025
@ec147 ec147 reopened this Jan 17, 2025
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2 participants