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Off diagonal #383

Merged
merged 16 commits into from
May 1, 2024
Merged

Off diagonal #383

merged 16 commits into from
May 1, 2024

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nquesada
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@nquesada nquesada commented Feb 15, 2024

A somewhat more numerically stable coherence calculation of the density matrix.

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@DavidSPhillips DavidSPhillips left a comment

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I've looked through the changes and to me this all looks great, though I would be much happier if @rachelchadwick has a good look through too. Personally I'm happy to approve, pending the 1 failing test.

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Nice @nquesada ! I am still going through the finer details but I've left some comments/suggestions below. One general suggestion is to try to find a way of giving a warning when the recursive method is not correct. It would be nice to be able to use the recursive when it's correct and the non-recursive (ie slower) only when needed, but we have no easy way of knowing when it's working. Could we do some sanity checks like the diagonals are all >0 and <1 and the sum of them is getting closer to 1 as we increase cutoff? Not too sure how to check the off-diagonals. If you're happy with any suggestions but don't have time to implement them, let me know and I can always implement them.

@@ -17,6 +17,7 @@

import numpy as np
import numba
from scipy.special import factorial as fac
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Can we just use the fact from .utils or is there something different?

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Now it is just factorial from scipy.special

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But why not use the stored factorials from utils to avoid recalculating like we do in _density_matrix_single_mode?

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Yup, good point.

thewalrus/internal_modes/fock_density_matrices.py Outdated Show resolved Hide resolved
thewalrus/internal_modes/fock_density_matrices.py Outdated Show resolved Hide resolved
thewalrus/internal_modes/pnr_statistics.py Outdated Show resolved Hide resolved
thewalrus/tests/test_internal_modes.py Outdated Show resolved Hide resolved
thewalrus/tests/test_internal_modes.py Outdated Show resolved Hide resolved
nquesada and others added 4 commits April 23, 2024 12:47
* Minor fixes

* passes black

* Fix test

* removes unused function

* test error is raised

* test error is raised

* Passes black

* Passes black

---------

Co-authored-by: Nicolas Quesada <[email protected]>
Co-authored-by: rachelchadwick <[email protected]>
* Now the non-recursive function do not produce warning

* Now the non-recursive function do not produce warning

* Passes black

* Simplifies the diagonal method

* More tests, always

* More tests, always

* minor pylint improvements

* Adds extra test

* black

* minor simplification

* some tests pass

* some tests pass

* Moves the tests that take forever to the end of the test file

* Passes black

* Adds else

---------

Co-authored-by: Nicolas Quesada <[email protected]>
* Adds the warning

* passes black

* Apply suggestions from code review

Co-authored-by: rachelchadwick <[email protected]>

* Update thewalrus/internal_modes/fock_density_matrices.py

---------

Co-authored-by: Nicolas Quesada <[email protected]>
Co-authored-by: rachelchadwick <[email protected]>
* Fix numba types

* Passes black

* Apply suggestions from code review

* Apply suggestions from code review

* passes black

* Make lists tuples

* Check non-recursive

* Tests with high tolerances

* Run black

* Update test_density_matrix

* Minor changes

---------

Co-authored-by: Nicolas Quesada <[email protected]>
Co-authored-by: Nicolas Quesada <[email protected]>
nquesada and others added 3 commits April 26, 2024 16:32
commit 7c63905
Merge: 127a1a7 f935053
Author: Eli Bourassa <[email protected]>
Date:   Mon Apr 29 14:16:22 2024 -0400

    Merge branch 'master' into internal_modes

commit f935053
Author: Alberto Fumagalli <[email protected]>
Date:   Mon Apr 29 14:14:51 2024 -0400

    Add codecov token to test workflow (#390)

commit fe9e112
Author: Nicolas Quesada <[email protected]>
Date:   Wed Apr 10 15:31:34 2024 -0400

    Updates references (#384)

    * updates references

    * Updates biblio

    ---------

    Co-authored-by: Nicolas Quesada <[email protected]>

commit 25b5f08
Author: Nicolas Quesada <[email protected]>
Date:   Wed Feb 28 20:35:28 2024 -0500

    Implements the pre-Iwasawa and Iwasawa decompositions. (#382)

    * First working version

    * First working version

    * First working version

    * better tests

    * better tests

    * Finally correct

    * Finally correct

    * putting the traingles in the right places

    * Removes unnecesary T

    * More tests

    * More tests and spell correction

    * More tests and spell correction

    * Removes unnecesary complex number usage

    * Apply suggestions from code review

    Co-authored-by: Sebastián Duque Mesa <[email protected]>

    * Apply suggestions from code review

    Co-authored-by: Sebastián Duque Mesa <[email protected]>

    ---------

    Co-authored-by: Nicolas Quesada <[email protected]>
    Co-authored-by: Sebastián Duque Mesa <[email protected]>

commit 127a1a7
Merge: e6de063 8759363
Author: Nicolas Quesada <[email protected]>
Date:   Tue Feb 13 16:43:20 2024 -0500

    Merge branch 'master' into internal_modes

commit 8759363
Author: Nicolas Quesada <[email protected]>
Date:   Thu Feb 1 16:57:23 2024 -0500

    Better blochmessiah (#381)

    * Nicer BM

    * Updates changelog

    * Unnecesary import

    * More simplifications

    * More simplifications

    * one more

    * Updates docstring

    ---------

    Co-authored-by: Nicolas Quesada <[email protected]>

commit 6247fc8
Author: Nicolas Quesada <[email protected]>
Date:   Wed Jan 24 10:43:57 2024 -0500

    Updates docstring and simplifies Williamson (#380)

    Co-authored-by: Nicolas Quesada <[email protected]>

commit 0b1af63
Author: Sebastián Duque Mesa <[email protected]>
Date:   Thu Jan 11 17:09:32 2024 -0500

    Increment version number to `0.22.0-dev` (#379)

commit 544c457
Author: Sebastián Duque Mesa <[email protected]>
Date:   Wed Jan 10 16:52:38 2024 -0500

    bump version to `0.21.0` (#378)

commit 2268bf0
Author: Nicolas Quesada <[email protected]>
Date:   Thu Jan 4 11:12:27 2024 -0500

    Adds extra degenerate tests with nonvac nullspace (#377)

    * Adds extra degenerate tests with nonvac nullspace

    * updates changelog

    * updates changelog

    * updates changelog

    * Removes unnecesary comment

    * Still breaking something

    * Simplifications still work

    * Simplifications still work

    * Fixes bug

    ---------

    Co-authored-by: Nicolas Quesada <[email protected]>

commit 8ec2172
Author: Nicolas Quesada <[email protected]>
Date:   Wed Nov 29 15:53:11 2023 -0500

    Implements the Montrealer (#374)

    * Saving changes

    * Passes black

    * Passes black

    * Black

    * updates acknowledgements and changelog

    * updates acknowledgements and changelog

    * Adds montrealer

    * Adds Montrealer tests (#375)

    * Yanic the pirate

    * mtl test

    * mtl first tests

    * mtl test

    * test mtl

    * test montrealer

    * test montrealer

    * test Montrealer

    * test montrealer

    * test montrealer

    * test montrealer

    * test montrealer

    * test montrealer

    * tests montrealer

    * montrealer test

    * montrealer test

    * montrealer test

    * montrealer test

    * montrealer test

    * test montrealer

    * test montrealer

    * montrealer test

    * montrealer test

    * montrealer test

    * montrealer tests

    * montrealer tests

    * montrealer tests

    * montrealer tests

    * functions header update

    * test montrealer

    * test montrealer

    * test montrealer

    * test montrealer

    * test montrealer

    * test montrealer

    * test montrealer

    * test montrealer ready for review

    * test montrealer

    * test montrealer

    * test montrealer

    * test montrealer

    * test montrealer

    * test montrealer - failed tests

    * test montrealer

    * test montrealer

    * test montrealer

    * test montrealer

    * test montrealer

    * the rspms are now ordered

    * Passes black

    * garbage test file to be deleted later

    * minor changes

    * Done

    ---------

    Co-authored-by: Nicolas Quesada <[email protected]>

    * making bots happy

    * Apply suggestions from code review

    Co-authored-by: Sebastián Duque Mesa <[email protected]>

    * Apply suggestions from code review

    Co-authored-by: Sebastián Duque Mesa <[email protected]>

    * Apply suggestions from code review

    * Apply suggestions from code review

    Co-authored-by: Sebastián Duque Mesa <[email protected]>

    * Apply suggestions from code review

    Co-authored-by: Sebastián Duque Mesa <[email protected]>

    * Adds extra tests

    ---------

    Co-authored-by: Nicolas Quesada <[email protected]>
    Co-authored-by: Yanic Cardin <[email protected]>
    Co-authored-by: Sebastián Duque Mesa <[email protected]>

commit 0e163bf
Author: Nicolas Quesada <[email protected]>
Date:   Tue Aug 22 10:19:08 2023 -0400

    Update symplectic.py (#372)

    * Update decompositions.py

    * New takagi

    * New takagi

    * Passes black

    * Simplifies blochmessiah

    * Simplifies blochmessiah

    * Found a case that breaks Takagi

    * Fixes all the tests

    * Fixes issues found by the linter

    * Adds extra test

    * Adds extra test

    * dummy

    * dummy

    * Update symplectic.py

    Removes `autonne`

    * relocates test

    * trying to make pylint happy

    ---------

    Co-authored-by: Nicolas Quesada <[email protected]>

commit e999e49
Author: Nicolas Quesada <[email protected]>
Date:   Thu Aug 17 12:55:45 2023 -0400

    Better way to determine if a matrix is a phase times a real matrix (#373)

    * Add a better way to determine if a matrix is a phase times a real matrix and tests

    * CHANGELOG updates

    ---------

    Co-authored-by: Nicolas Quesada <[email protected]>
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codecov bot commented Apr 30, 2024

Codecov Report

Attention: Patch coverage is 98.36066% with 1 lines in your changes are missing coverage. Please review.

❗ No coverage uploaded for pull request base (internal_modes@7c63905). Click here to learn what that means.

Additional details and impacted files
@@                Coverage Diff                @@
##             internal_modes     #383   +/-   ##
=================================================
  Coverage                  ?   99.95%           
=================================================
  Files                     ?       33           
  Lines                     ?     2227           
  Branches                  ?        0           
=================================================
  Hits                      ?     2226           
  Misses                    ?        1           
  Partials                  ?        0           
Files Coverage Δ
thewalrus/_hafnian.py 100.00% <ø> (ø)
thewalrus/internal_modes/__init__.py 100.00% <100.00%> (ø)
thewalrus/internal_modes/pnr_statistics.py 100.00% <100.00%> (ø)
thewalrus/internal_modes/utils.py 100.00% <ø> (ø)
thewalrus/internal_modes/fock_density_matrices.py 98.57% <98.24%> (ø)

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@nquesada
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@rachelchadwick this worked!
Looking fwd to see this branch merged!

@rachelchadwick
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@rachelchadwick this worked! Looking fwd to see this branch merged!

@nquesada But it seems to fail with a segmentation fault most of the time. That's not something I want to merge into main for sure.

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Ok I've run it several times now with no problem so the segmentation error seems to have fixed itself too. So unless there are any objections I'll merge this one into internal_modes tomorrow.

@rachelchadwick rachelchadwick merged commit c390f84 into internal_modes May 1, 2024
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@rachelchadwick rachelchadwick deleted the off_diagonal branch May 1, 2024 22:22
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3 participants