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deepmodeling / abacus-develop Public

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Update after_scf in ESolver#5957

Merged

Qianruipku merged 16 commits intodeepmodeling:developdeepmodeling/abacus-develop:developfrom

mohanchen:developmohanchen/abacus-mc:developCopy head branch name to clipboard

Mar 5, 2025

Conversation Commits16 (16)Checks Files changed

Merged

Update after_scf in ESolver#5957
Qianruipku merged 16 commits intodeepmodeling:developfrom
mohanchen:develop

Commits

Commits on Mar 2, 2025

update the format in esolver_ks_pw.cpp
mohanchen
committed
create a new file lcao_after_scf.cpp and move some codes from esolver_ks_lcao to here
mohanchen
committed
add conv_esolver as parameter of iter_finish, after_scf, update_pot
mohanchen
committed
add missing file in Makefile.Objects
mohanchen
committed
deal with the multiple definitions that appear in hpp files
mohanchen
committed
update codes about hpp files
mohanchen
committed
add new kinetic operator header file in order to print out T (kinetic) matrix
mohanchen
committed
update lcao_after_scf, support RPA and LRI
mohanchen
committed
update lcao_after_scf
mohanchen
committed
update
mohanchen
committed
Merge branch 'develop' into develop
Flying-dragon-boxing
authored

Commits on Mar 3, 2025

Merge branch 'deepmodeling:develop' into develop
mohanchen
authored
update after_scf in esolver
mohanchen
committed

Commits on Mar 4, 2025

fix ELF
mohanchen
committed
Merge branch 'develop' of https://github.com/mohanchen/abacus-mc into develop
mohanchen
committed
fix ELF in LCAO
mohanchen
committed

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