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change some variables from pointers to vector #3977

Merged

mohanchen merged 12 commits into deepmodeling:develop from AmengFromCDH:develop

Apr 15, 2024

AmengFromCDH commented Apr 14, 2024 •

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Reminder

Have you linked an issue with this pull request?
Have you added adequate unit tests and/or case tests for your pull request?
Have you noticed possible changes of behavior below or in the linked issue?
Have you explained the changes of codes in core modules of ESolver, HSolver, ElecState, Hamilt, Operator or Psi? (ignore if not applicable)

Linked Issue

Fix #...

Unit Tests and/or Case Tests for my changes

A unit test is added for each new feature or bug fix.

What's changed?

change some variables from double*/int* to std::vector/std::vector

Any changes of core modules? (ignore if not applicable)

Example: I have added a new virtual function in the esolver base class in order to ...

AmengFromCDH added 9 commits

April 14, 2024 12:33


          change Unitcell.lc from int* to vector

bbb7c4d

fix

5394e65


          initialize lc

e9c7bce


          try to fix test fail

e9c3f75


          change some variables from * to vector

8c2dd9f


          Revert "try to fix test fail"

55a3fc7

This reverts commit e9c3f75.


          Revert "initialize lc"

bd86339

This reverts commit e9c7bce.


          Revert "fix"

c8bb068

This reverts commit 5394e65.


          Revert "change Unitcell.lc from int* to vector"

e3dd3e9

This reverts commit bbb7c4d.

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AmengFromCDH added 2 commits

April 15, 2024 10:38


          change some variables into vector and fix problem

c32329b

change * to vector
and fix the problem of unecessary fuction calls


          fix losing ;

87ff57a

kirk0830 requested a review from mohanchen

April 15, 2024 07:07


          Merge branch 'develop' into develop

33deee8

mohanchen approved these changes

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mohanchen left a comment

LGTM

mohanchen merged commit 3035d4d into deepmodeling:develop

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