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Update DOS output formats (pw basis). #6113

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Merged
merged 76 commits into from
Apr 6, 2025
Merged

Update DOS output formats (pw basis). #6113

merged 76 commits into from
Apr 6, 2025

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@mohanchen
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@mohanchen mohanchen commented Apr 5, 2025

Update DOS output formats (pw basis).

mohanchen and others added 30 commits March 25, 2025 22:01
@mohanchen
update some timers
e79c1d0
@mohanchen
update timer
3a8b520
@mohanchen
update output formats
aabb29a
@mohanchen
update print_cell
931f4ac
@mohanchen
add ofs in print_tau
71e5556
@mohanchen
update print_tau
4353a55
@mohanchen
update output formats
959fe8b
@mohanchen
update md outputs
9a8552d
@mohanchen
Merge branch 'deepmodeling:develop' into develop
cc35adf
@mohanchen
Merge branch 'develop' of https://github.com/mohanchen/abacus-mc into…
357d43e 
… develop
@mohanchen
beging modifying the autotests
eb0a302
@mohanchen
update previous commits
258245d
@mohanchen
update integrate tests
2fc86bb
@mohanchen
update some timers
5840f50
@mohanchen
fix total force and total stress
0189b6c
@mohanchen
update integrate tests
34bcd1a
@mohanchen
update print_band
9deffae
@mohanchen
fix print_band
8718960
@mohanchen
update md print out information
05e9cc7
@mohanchen
update print_stress
abc61a0
@mohanchen
update print_stress in dp, but still has problems in lj
bda0769
@mohanchen
fix dp_test.cpp
c4b4b19
@mohanchen
update esolver_lj
1060d4a
@mohanchen
Merge branch 'develop' of https://github.com/mohanchen/abacus-mc into…
3f77545 
… develop
@mohanchen
merge new codes
34c8748
@mohanchen
set mulliken charge accuracy from 4 to 3
b0d2d0a
@mohanchen
update print force and print stress
3956c6f
@mohanchen
Merge branch 'develop' of https://github.com/mohanchen/abacus-mc into…
b27ddc2 
… develop
@mohanchen
delete kv variable in hamilt_lcao
ae6552c
@mohanchen
update some operators
37c253e
@mohanchen mohanchen added the The Absolute Zero Reduce the "entropy" of the code to 0 label Apr 5, 2025
@mohanchen mohanchen requested a review from YuLiu98 April 5, 2025 06:41
@YuLiu98 YuLiu98 merged commit ca7978a into deepmodeling:develop Apr 6, 2025
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@mohanchen @YuLiu98