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Move some output information out of ESolver_KS_PW, not an easy task, actually. #6541

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Merged
merged 19 commits into from
Sep 29, 2025
Merged

Move some output information out of ESolver_KS_PW, not an easy task, actually. #6541

merged 19 commits into from
Sep 29, 2025

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@mohanchen
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@mohanchen mohanchen commented Sep 27, 2025

Move some output information out of ESolver_KS_PW

@mohanchen
update small places in charge_mixing_residual.cpp
415b55f
@mohanchen
update charge_mixing_preconditioner
1156f21
@mohanchen
add timers and remove some PARAM.inp.nspin
8d8803b
@mohanchen
fix problems
91b9ceb
@mohanchen
add timers
a7f6294
@mohanchen
small fix
9f95733
@mohanchen
fix a potential memory leak
f7f156d
@mohanchen
fix bug
94e5780
@mohanchen
Merge branch 'develop' of https://github.com/mohanchen/abacus-mc into…
8fed198 
… develop
@mohanchen
add ctrl_output_pw files but cannot run now
8616ac3
@mohanchen
add some interfaces in ctrl_output_pw
bbe4c3f
@mohanchen
keep fixing bugs
77ea800
@mohanchen
successfully compile the codes
5364e44
@mohanchen
finally I understand Devicegit add ../source/source_base/module_devic…
5534980 
…e/device.h ../source/source_io/ctrl_output_pw.cpp ../source/source_io/ctrl_output_pw.h!
@mohanchen
update function variables
9a1c9fd
@mohanchen
one step further
40fa9f0
@mohanchen
move on
155c18d
@mohanchen
update codes, done!
9c1c376
@mohanchen mohanchen added Input&Output Suitable for coders without knowing too many DFT details Refactor Refactor ABACUS codes The Absolute Zero Reduce the "entropy" of the code to 0 labels Sep 27, 2025
Cstandardlib
Cstandardlib approved these changes Sep 28, 2025
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LGTM

Cstandardlib
Cstandardlib reviewed Sep 28, 2025
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@mohanchen mohanchen merged commit 5926001 into deepmodeling:develop Sep 29, 2025
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Input&Output Suitable for coders without knowing too many DFT details Refactor Refactor ABACUS codes The Absolute Zero Reduce the "entropy" of the code to 0

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@mohanchen @Cstandardlib