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Refactor: refactor the constructors of Psi class #5761

Merged
merged 52 commits into from
Jan 5, 2025
Merged

Refactor: refactor the constructors of Psi class #5761

merged 52 commits into from
Jan 5, 2025

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haozhihan
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@haozhihan haozhihan commented Dec 25, 2024 •
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haozhihan and others added 30 commits December 25, 2024 02:46
@haozhihan
remove Psi(const Psi& psi_in, const int nk_in, int nband_in);
84e63b6
@haozhihan
fix bug
b15cd5c
@haozhihan
fix bug
9900bb7
@pre-commit-ci-lite
[pre-commit.ci lite] apply automatic fixes
a02b5d8
@haozhihan
remove device value in psi
8e3a58f
@haozhihan
update Psi(const Psi& psi_in, const int nk_in, int nband_in)
c716bb7
@haozhihan
update get_ngk usage
1c2f523
@haozhihan
fix bug about ngk
1fb8851
@pre-commit-ci-lite
[pre-commit.ci lite] apply automatic fixes
1a9aea9
@haozhihan
fix bug
9a3a9f0
@haozhihan
format operator
093c3f2
@pre-commit-ci-lite
[pre-commit.ci lite] apply automatic fixes
af1b7bc
@haozhihan
fix bug
16687c3
@haozhihan
fix bug
35d26d6
@haozhihan
fix bug
3096085
@haozhihan
fix bug
a3817e4
@haozhihan
add get_cur_effective_basis func
67fda40
@haozhihan
fix bug
0b0604c
@haozhihan
update get_cur_effective_basis
d5634b3
@haozhihan
check bugs
0339ba3
@haozhihan
update Constructor 8-1
190e74a
@haozhihan
fix bug
cf0cad7
@haozhihan
fix bug
30b1aa4
@haozhihan
fix bug
fcc167f
@haozhihan
fix bug maybe
8cf1363
@haozhihan
fix bug
7e09971
@haozhihan
check correct
6ff1b3a
@haozhihan
check 1
7e44e9f
@haozhihan
fix unit test
f4f958c
@haozhihan
fix unit bug
444f21e
haozhihan and others added 18 commits December 29, 2024 13:01
@haozhihan haozhihan changed the title not ready Refactor: refactor the constructors of Psi class Dec 31, 2024
@haozhihan haozhihan marked this pull request as ready for review December 31, 2024 09:54
@mohanchen mohanchen added the The Absolute Zero Reduce the "entropy" of the code to 0 label Jan 5, 2025
@mohanchen mohanchen added the Refactor Refactor ABACUS codes label Jan 5, 2025
@mohanchen mohanchen merged commit 8905ddf into deepmodeling:develop Jan 5, 2025
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