Refactor: add UnitTests and new functions and OverlapNew operator with HContainer - #2777

Merged

hongriTianqi merged 10 commits into

deepmodeling:developfrom

dyzheng:cherry-pick

Aug 2, 2023

Commits on Jul 27, 2023

update demo1_SR
dyzheng
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Refactor: update demos in module_hcontainer
dyzheng
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Commits on Jul 28, 2023

Test: add unit test for parallel_orbitals.cpp
dyzheng
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Commits on Jul 31, 2023

update parallel_orbitals.h with get_indexes functions
dyzheng
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Merge branch 'develop' of https://gitee.com/deepmodeling/abacus-develop into cherry-pick
dyzheng
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Refactor: small modifies for constructor of OperatorLCAO
dyzheng
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Refactor: update get_pointer() interface in AtomPair
dyzheng
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Refactor: add func_folding and UnitTest
dyzheng
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Commits on Aug 1, 2023

Feature: add new Operator for overlap of NAOs - OperatorNew
dyzheng
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Fix: bug in CI
dyzheng
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