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Implementation of LJGauss and OPP pair potential under hpmc. #1886

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shihkual opened this issue Sep 18, 2024 · 0 comments · May be fixed by #1889
Open

Implementation of LJGauss and OPP pair potential under hpmc. #1886

shihkual opened this issue Sep 18, 2024 · 0 comments · May be fixed by #1889
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enhancement New feature or request hpmc HPMC component

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@shihkual
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Description

I would like to help implement the LJGauss and OPP pair potential under the hpmc module, equivalent to the implementation in md.

Proposed solution

LJ-Gauss

  1. Write PairPotentialLJGauss.cc and PairPotentialLJGauss.h, using the implementation in hoomd.md.pair as reference.
  2. Write lj_gauss.py.
  3. Include the three scripts to CMakeLists.txt.
  4. Write Unittest?

OPP

  1. Write PairPotentialOPP.cc and PairPotentialOPP.h, using the implementation in hoomd.md.pair as reference.
  2. Write opp.py.
  3. Include the three scripts to CMakeLists.txt.
  4. Write Unittest?

Additional context

No response

@shihkual shihkual added enhancement New feature or request hpmc HPMC component labels Sep 18, 2024
@shihkual shihkual self-assigned this Sep 18, 2024
@shihkual shihkual linked a pull request Sep 19, 2024 that will close this issue
3 tasks
@shihkual shihkual linked a pull request Sep 19, 2024 that will close this issue
3 tasks
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Labels
enhancement New feature or request hpmc HPMC component
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