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Update before_all_runners in ESolver #4334

Merged
merged 30 commits into from
Jun 9, 2024
Merged

Update before_all_runners in ESolver #4334

merged 30 commits into from
Jun 9, 2024

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mohanchen
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@mohanchen
add explanations in esolver_ks_lcao
5bb1041
@mohanchen
add comments in esolver_ks_lcao
6a10dd6
@mohanchen
add notes in esolver
24fe14b
@mohanchen
organize the functions in esolver_ks
a260077
@mohanchen
add notes in esolver_ks_lcao
7f1f197
@mohanchen
update some function names in ESolver, change init() to before_runner…
9809a78 
…(), change run() to runner(), and change post_process() to after_all_runners()
@mohanchen
update esolver
bf460b1
@mohanchen
Merge branch 'esolver' into develop
2c11db3
@mohanchen
fix tests in md
4267571
@mohanchen
Merge branch 'develop' into develop
4419dce
@mohanchen
Merge branch 'deepmodeling:develop' into develop
5d4b112
@mohanchen
Merge branch 'deepmodeling:develop' into develop
53b674e
@mohanchen
Merge branch 'deepmodeling:develop' into develop
1570f0c
@mohanchen
Merge branch 'deepmodeling:develop' into develop
1da2ccc
@mohanchen
Merge branch 'develop' of https://github.com/mohanchen/abacus-mc into…
7bdc6d0 
… develop
@mohanchen
Merge branch 'develop' of https://github.com/mohanchen/abacus-mc into…
e75e987 
… develop
@mohanchen
Merge branch 'develop' of https://github.com/mohanchen/abacus-mc into…
12ea421 
… develop
@mohanchen
Merge branch 'develop' of https://github.com/mohanchen/abacus-mc into…
1154857 
… develop
@mohanchen
Merge branch 'develop' of https://github.com/mohanchen/abacus-mc into…
854f649 
… develop
@mohanchen
Merge branch 'develop' of https://github.com/mohanchen/abacus-mc into…
a2fc417 
… develop
@mohanchen
delete some GlobalC in esolver_ks_pw.cpp
5073589
@mohanchen
delete some GlobalC::ppcell
d981b14
@mohanchen
update esolver
d53d86f
@mohanchen
update wavefunc, this class is messy.
f2f90d2
@mohanchen
update small places
e44ee9a
@mohanchen
get clear of the bfore_all_runners subroutines
0a554fb
@mohanchen
Merge branch 'deepmodeling:develop' into develop
2b150a9
@mohanchen mohanchen requested a review from Qianruipku June 8, 2024 14:59
@kirk0830
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kirk0830 commented Jun 8, 2024

I have reviewed this pr, changes are mainly in following aspects:

  1. moving several GlobalV variables out of functions
  2. changing the single-line-multiple initializations of variables to multiple lines.
    These changes look good to me but seems test crashes because corresponding changes on unittests are absent.

@mohanchen mohanchen merged commit 332c875 into deepmodeling:develop Jun 9, 2024
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@kirk0830 kirk0830 kirk0830 left review comments

@Qianruipku Qianruipku Qianruipku approved these changes

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3 participants
@mohanchen @kirk0830 @Qianruipku