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mesonepigreco wants to merge 116 commits intoWignerJuliaSSCHAcode/tdscha:WignerJuliafrom Fast_LANCZOSSSCHAcode/tdscha:Fast_LANCZOSCopy head branch name to clipboard

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Commits on Dec 23, 2021

• fixed bug

  

  matmi8

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Commits on Jan 4, 2022

• Update python-app.yml

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Commits on Jan 13, 2022

• Fixed an error if no symmetrization was done

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Commits on Feb 9, 2022

• Added the possibility to restart a calculation with the cluster program

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• Update python-app.yml

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Commits on Feb 12, 2022

• Fixed a wrong assertion

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• Merge branch 'Fast_LANCZOS' of github.com:mesonepigreco/python-sscha into Fast_LANCZOS

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Commits on Feb 13, 2022

• Added the possibility to load the status from a file object

  mesonepigreco

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  608d1ad

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• Added the possibility to save only the abc file, to avoid consuming a lot of memory

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Commits on Jun 2, 2022

• bugfix

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  6afbf7e

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• Removed the default save_dir

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Commits on Aug 30, 2022

• Fixed a useless supercell generation in the initialization

  mesonepigreco

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• Update python-app.yml

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Commits on Sep 7, 2022

• Added the julia runtine to try to speedup the calculation

  mesonepigreco

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  fa66f0d

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• Added the analyzer on the abc file

  mesonepigreco

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  bf3e7ce

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• Added the function to pass into the sparse matrix

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Commits on Sep 8, 2022

• Fixed an error

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  28fab9a

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• Finished (but not tested the julia version)

  mesonepigreco

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  6b706df

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• Now the julia thing works!!!

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  b913f31

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• I do not remember

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  815777b

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• Merge branch 'Fast_LANCZOS' of github.com:mesonepigreco/python-sscha into Fast_LANCZOS

  mesonepigreco

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  087cbc7

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• Added a julia test

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  5daa85a

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• fast

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  d26bb89

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• Merge branch 'julia_exec' of github.com:mesonepigreco/python-sscha into julia_exec

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  709abcb

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• Now it works and we can try a bit bigger system.

  mesonepigreco

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  cfc8ab8

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Commits on Sep 9, 2022

• Removed the force thread

  mesonepigreco

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  b211218

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• Avoid multithreading, it sucks

  mesonepigreco

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  d3ff185

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• Reset the trheading

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  46e641d

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• Added some thread safety

  mesonepigreco

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  fcd51cb

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• Now the julia version works in parallel with the GoParallel function

  mesonepigreco

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  046a7f3

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• Other small fix

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Commits on Sep 12, 2022

• Added a script for converting the output into a .abc file

  mesonepigreco

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  a91feb7

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• Updated the setup.py

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• Added the analyzer on the abc file

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Commits on Sep 14, 2022

• Added some info for the symmetries

  mesonepigreco

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  c91be7e

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• Fixed something

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  79682c6

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• Fix

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  014beea

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• Merge branch 'julia_exec' of github.com:mesonepigreco/tdscha into julia_exec

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Commits on Sep 15, 2022

• Fix

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  c8e6321

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• Fix

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Commits on Oct 11, 2022

• Debug

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• Merge branch 'julia_exec' of github.com:mesonepigreco/tdscha into julia_exec

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Commits on Oct 25, 2022

• Added a new script to plot the results directly

  mesonepigreco

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Commits on Nov 17, 2022

• Added the possibility to call the unpolarized raman

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Commits on Jan 20, 2023

• Fix a bug when loading the dynamical matrix

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Commits on May 21, 2023

• Merge pull request #3 from mesonepigreco/julia_exec

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• Merge branch 'Fast_LANCZOS' of github.com:mesonepigreco/python-sscha into Fast_LANCZOS

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Commits on May 23, 2023

• Added the function to compute the Bose occupation

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Commits on Jun 18, 2023

• Merge branch 'Fast_LANCZOS' of github.com:mesonepigreco/python-sscha into Fast_LANCZOS

  mesonepigreco

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  74c9f32

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• Added a new tdscha-convergence-analysis.py script

  mesonepigreco

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  cdaa322

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• Added a new subversion

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  1d89791

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• Reorder the iteration number

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  b455c53

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• Merge branch 'Fast_LANCZOS' of github.com:mesonepigreco/python-sscha into Fast_LANCZOS

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Commits on Jul 25, 2023

• Now it seems julia is working with the auto recognition

  mesonepigreco

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  344af7f

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Commits on Nov 1, 2023

• Added the possibility to pass by objects to the StaticHessian to perform the Lanczos calculation

  mesonepigreco

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• Update python-app.yml

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Commits on Nov 2, 2023

• Some bugfixes on the hessian module and the automatic detection of julia

  mesonepigreco

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  de691de

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• Merge branch 'Fast_LANCZOS' of github.com:mesonepigreco/tdscha into Fast_LANCZOS

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• Update python-app.yml

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• Fixing a bad mistake in the last commit

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  d6e2725

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• Merge branch 'Fast_LANCZOS' of github.com:mesonepigreco/tdscha into Fast_LANCZOS

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Commits on Nov 18, 2023

• Update and rename README.md to README.rst

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Commits on Jun 11, 2024

• Fix a bug when generating the directory inside the run in the parallel execution

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• Update python-app.yml

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Commits on Jun 28, 2024

• Added the garbage collection.

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Commits on Dec 18, 2024

• fixed bug

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• Update python-app.yml

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  mesonepigreco

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• Fixed an error if no symmetrization was done

  mesonepigreco

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  f563607

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• Added the possibility to restart a calculation with the cluster program

  mesonepigreco

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  148cdb3

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• Update python-app.yml

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  mesonepigreco

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  585ff09

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• Added the possibility to load the status from a file object

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  26adec4

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• Added the possibility to save only the abc file, to avoid consuming a lot of memory

  mesonepigreco

  committed
  66fd2b5

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• I do not remember

  mesonepigreco

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  73635f7

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• bugfix

  mesonepigreco

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  7824471

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• Removed the default save_dir

  mesonepigreco

  committed
  380fe1c

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• Fixed a useless supercell generation in the initialization

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  d890f82

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• Update python-app.yml

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• Added the analyzer on the abc file

  mesonepigreco

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  6b73dc5

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• Added the julia runtine to try to speedup the calculation

  mesonepigreco

  committed
  a477db3

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• Added the function to pass into the sparse matrix

  mesonepigreco

  committed
  4d79136

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• Fixed an error

  mesonepigreco

  committed
  d7dea5c

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• Finished (but not tested the julia version)

  mesonepigreco

  committed
  3fd52f2

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• Now the julia thing works!!!

  mesonepigreco

  committed
  71cb8c3

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• fast

  mesonepigreco

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  7f60917

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• Now it works and we can try a bit bigger system.

  mesonepigreco

  committed
  41c873f

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• Removed the force thread

  mesonepigreco

  committed
  95dfffd

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• Avoid multithreading, it sucks

  mesonepigreco

  committed
  858bcf1

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• Now the julia version works in parallel with the GoParallel function

  mesonepigreco

  committed
  bca1efb

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• Added a script for converting the output into a .abc file

  mesonepigreco

  committed
  eb9fea6

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• Updated the setup.py

  mesonepigreco

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  fa87fa6

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• Added some info for the symmetries

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  committed
  cc2ddd7

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• Fixed something

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  a666706

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• Fix

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• Fix

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• Debug

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  0a71848

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• Fix

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  8d7e72a

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• Added a new script to plot the results directly

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  committed
  491244b

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• Added the possibility to call the unpolarized raman

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  committed
  e7e1fd8

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• Fix a bug when loading the dynamical matrix

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  committed
  faa1e7b

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• Added the function to compute the Bose occupation

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  committed
  c86e90a

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• Added a new tdscha-convergence-analysis.py script

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  committed
  44a152f

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• Reorder the iteration number

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  committed
  f4c8abb

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• Added a new subversion

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  committed
  93a7f73

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• Now it seems julia is working with the auto recognition

  mesonepigreco

  committed
  3d31b35

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• Added the possibility to pass by objects to the StaticHessian to perform the Lanczos calculation

  mesonepigreco

  committed
  6e07f9c

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• Some bugfixes on the hessian module and the automatic detection of julia

  mesonepigreco

  committed
  bbabb04

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• Update python-app.yml

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  222e515

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• Fixing a bad mistake in the last commit

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  9b601b5

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• Update python-app.yml

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• Update and rename README.md to README.rst

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• Fix a bug when generating the directory inside the run in the parallel execution

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  committed
  e432282

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• Update python-app.yml

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• Added the garbage collection.

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  20fc0de

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• Modified plot

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  e7e0d52

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• Merge branch 'Fast_LANCZOS' of github.com:SSCHAcode/tdscha into Fast_LANCZOS

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Commits on Jan 23, 2025

• I do not know

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