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Add one dim cubic spline with linear grid #3839

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merged 7 commits into from
Feb 16, 2022

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ye-luo
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@ye-luo ye-luo commented Feb 15, 2022

Proposed changes

To be used in short range Coulomb PBC AA.

What type(s) of changes does this code introduce?

  • New feature

Does this introduce a breaking change?

  • No

What systems has this change been tested on?

epyc-server

Checklist

  • Yes. This PR is up to date with current the current state of 'develop'
  • Yes. Code added or changed in the PR has been clang-formatted
  • Ye. This PR adds tests to cover any new code, or to catch a bug that is being fixed

@ye-luo
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ye-luo commented Feb 15, 2022

Test this please

@prckent prckent self-requested a review February 15, 2022 16:19
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  1. Why is this needed?
  2. Add comments/definitions
  3. Class not struct?
  4. Private not public
  5. Hopefully 100% test coverage

@ye-luo
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ye-luo commented Feb 15, 2022

1. Why is this needed?

class containing pointers with virtual function pointer calls. I'd like to stay away from them inside a GPU kernel.

2. Add comments/definitions

I will add more.

3. 4. Private not public

Will do

5. Hopefully 100% test coverage

I hope so.

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ye-luo commented Feb 15, 2022

It is 90.90% unfortunately not 100%.

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prckent commented Feb 15, 2022

Good try on the coverage. Can you put a note about avoiding virtual functions for future people using/modifying this?

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ye-luo commented Feb 15, 2022

I added a note explaining that this class was made to avoid virtual functions on GPU and how the member functions should be used.

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ye-luo commented Feb 16, 2022

Test this please

@ye-luo ye-luo merged commit 244d561 into QMCPACK:develop Feb 16, 2022
@ye-luo ye-luo deleted the add-OneDimCubicSplineLinearGrid branch February 16, 2022 02:02
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2 participants