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More general Quantica.gaps #324

Merged
merged 2 commits into from
Nov 28, 2024
Merged

More general Quantica.gaps #324

merged 2 commits into from
Nov 28, 2024

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pablosanjose
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We can now pass keyword arguments to the ArnoldiMethod eigensolver used by gaps

docstring

docstring
pablosanjose added a commit that referenced this pull request Nov 28, 2024
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codecov-commenter commented Nov 28, 2024

⚠️ Please install the 'codecov app svg image' to ensure uploads and comments are reliably processed by Codecov.

Codecov Report

All modified and coverable lines are covered by tests ✅

Project coverage is 92.47%. Comparing base (75fd834) to head (d52fa11).

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Additional details and impacted files
@@           Coverage Diff           @@
##           master     #324   +/-   ##
=======================================
  Coverage   92.47%   92.47%           
=======================================
  Files          39       39           
  Lines        6906     6907    +1     
=======================================
+ Hits         6386     6387    +1     
  Misses        520      520           

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@pablosanjose pablosanjose merged commit 6197b8b into master Nov 28, 2024
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@pablosanjose pablosanjose deleted the gaps branch November 28, 2024 10:37
pablosanjose added a commit that referenced this pull request Nov 28, 2024
* Better meanfield

docstrings

simplifications and fixes

fix dispatch for N=2

fixes to CompressedOrbitalMatrix indexing

serialize(T, ::OrbitalSliceArray)

fix test

* fix test

* doctests fixes

* correctness fixes

* code reordering

* missing method

* another fix

* fix for case fock = nothing

* force hermiticity in CompressedOrbitalMatrix

* only compute ρ once per meanfield

also, assume Hermtian Hamiltonian in Schur ρ solver

* skip size threshold in docs for api.md

* fix doc make

* don't drop structural zeros in Fock potential

* rebase on Quantica.gaps PR #324

* docs [skip tests]
@pablosanjose pablosanjose mentioned this pull request Feb 6, 2025
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2 participants