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add LBFGS method #6005

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merged 25 commits into from
Mar 23, 2025
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2a79ecb
update bfgs method
19hello Dec 2, 2024
0b52719
update bfgs method and modify the parameter force in relax_step to be…
19hello Dec 2, 2024
f79ab76
update bfgs method and modify the parameter force in relax_step to be…
19hello Dec 2, 2024
808feb5
Introduce the differences between the two BFGS methods
19hello Dec 10, 2024
ebdac58
Add & in relax_step input parameters
19hello Dec 11, 2024
f3b9541
Merge branch 'develop' into updatebfgstrad
19hello Dec 13, 2024
31d81b4
Merge branch 'develop' into updatebfgstrad
19hello Dec 13, 2024
44b974b
fix confilct
19hello Dec 13, 2024
9ca9366
Merge branch 'updatebfgstrad' of https://github.com/19hello/myrepo in…
19hello Dec 13, 2024
093b2eb
add lbfgs method
19hello Feb 15, 2025
e2ada07
add lbfgs method
19hello Mar 7, 2025
c6b8458
add lbfgs
19hello Mar 11, 2025
279f99e
Merge branch 'develop' of https://github.com/deepmodeling/abacus-deve…
19hello Mar 12, 2025
caf7bcd
lbfgs0
19hello Mar 12, 2025
f4fefe4
addlbfgs
19hello Mar 12, 2025
a0197d8
add lbfgs method
19hello Mar 15, 2025
ca96d15
add lbfgs method
19hello Mar 15, 2025
c8b7066
Refactor the code and add comments
19hello Mar 19, 2025
b452a90
Modify comments
19hello Mar 20, 2025
53bc754
remove auto
19hello Mar 22, 2025
75605b6
remove auto
19hello Mar 22, 2025
280fef6
Merge branch 'develop' of https://github.com/deepmodeling/abacus-deve…
19hello Mar 22, 2025
8e25419
remove auto
19hello Mar 22, 2025
7ee2e48
remove auto
19hello Mar 22, 2025
87a201a
remove auto
19hello Mar 23, 2025
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