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Feature: Add CG algorithm to pyabacus.hsolver #5398

Merged
merged 33 commits into from
Nov 4, 2024
Merged

Feature: Add CG algorithm to pyabacus.hsolver #5398

merged 33 commits into from
Nov 4, 2024

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a1henu
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@a1henu a1henu commented Nov 3, 2024

Reminder

  • Have you linked an issue with this pull request?
  • Have you added adequate unit tests and/or case tests for your pull request?
  • Have you noticed possible changes of behavior below or in the linked issue?
  • Have you explained the changes of codes in core modules of ESolver, HSolver, ElecState, Hamilt, Operator or Psi? (ignore if not applicable)

Linked Issue

Fix #5397

a1henu added 30 commits September 18, 2024 23:09
@a1henu
fix some typos in _hsolver.py
597f832
@a1henu
Merge branch 'deepmodeling:develop' into develop
c0f35ea
@a1henu
fix some bugs caused by deepmodeling#5134
9e705b9
@a1henu
Merge branch 'deepmodeling:develop' into develop
4df6647
@a1henu
Merge branch 'deepmodeling:develop' into develop
873a6a7
@a1henu
Merge branch 'deepmodeling:develop' into develop
522d387
@a1henu
Refactor hsolver module and remove unused code
8b2f66a
@a1henu
refactor the structure of pythonization source code
2e97a26
@a1henu
fix some bug
2f8cb6e
@a1henu
Refactor __getattr__ function in __init__.py to handle attribute errors
97ac95f
@a1henu
Merge branch 'develop' of http://github.com/a1henu/abacus-develop int…
c9c6b50 
…o develop
@a1henu
fix some bugs
6e3ed8c
@a1henu
Add CONTRIBUTING.md to facilitate contributing to pyabacus project
8382659
@a1henu
Merge branch 'deepmodeling:develop' into develop
90d7197
@a1henu
fix typos
8cfb4c9
@a1henu
Merge branch 'develop' of github.com:a1henu/abacus-develop into develop
8261618
@a1henu
Update CONTRIBUTING.md
68a0c76
@a1henu
Update CONTRIBUTING.md
a73c487
@a1henu
update README.md and CONTRIBUTING.md
ebbef70
@a1henu
update README.md
9647167
@a1henu
update CONTRIBUTING.md
52b47b0
@a1henu
update CONTRIBUTING.md
c9aad8a
@a1henu
fix a bug caused by tuple in python3.8
baa781a
@a1henu
Merge branch 'develop' into develop
bf55705
@a1henu
update
04e95ac
@a1henu
XXMerge branch 'develop' of github.com:a1henu/abacus-develop into dev…
a3077d5 
…elop
@a1henu
Merge branch 'deepmodeling:develop' into develop
7798e79
@a1henu
add basic framework for diagoCG
18f52c4
@a1henu
add cd to hsolver
c5da614
@a1henu
change the signature of cg
9fa76dc
@a1henu a1henu marked this pull request as ready for review November 3, 2024 07:49
@mohanchen mohanchen added the pyabacus ABACUS used with Python label Nov 4, 2024
@mohanchen mohanchen merged commit 5f9a1c6 into deepmodeling:develop Nov 4, 2024
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Feature: CG diagonalization method support for pyabacus
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@a1henu @mohanchen