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Merged
merged 64 commits into from
Oct 8, 2025
Merged

Make ESolver simpler again #6565

merged 64 commits into from
Oct 8, 2025

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@mohanchen
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@mohanchen mohanchen commented Oct 6, 2025

Make ESolver simpler again

mohanchen and others added 30 commits September 26, 2025 15:30
@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
fix bug
e6623f1
@mohanchen
Merge branch 'develop' of https://github.com/mohanchen/abacus-mc into…
c715622 
… develop
@mohanchen
add setup_pot
2cc87f9
@mohanchen
fix bugs
5d2fc35
@mohanchen
update esolver_ks_pw, add setup_pot
632b1c6
@mohanchen
update format of esolver_ks_pw.cpp
0e70265
@mohanchen
update setup_pot for GPU version
e0eed86
@mohanchen
update esolver_ks_pw.cpp
6f1657e
@mohanchen
add setup_estate_pw in source_estate
28ce5d6
@mohanchen
fix some bugs
af3955d
@mohanchen
small update
8030dd0
@mohanchen
Merge branch 'develop' into develop
29776a6
@mohanchen mohanchen added Refactor Refactor ABACUS codes The Absolute Zero Reduce the "entropy" of the code to 0 labels Oct 6, 2025
@mohanchen mohanchen requested a review from AsTonyshment October 6, 2025 08:28
AsTonyshment
AsTonyshment reviewed Oct 6, 2025
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AsTonyshment
AsTonyshment approved these changes Oct 7, 2025
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LGTM.

@mohanchen mohanchen merged commit 79b2508 into deepmodeling:develop Oct 8, 2025
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@AsTonyshment AsTonyshment AsTonyshment approved these changes

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@mohanchen @AsTonyshment