Feature/dynamic bonding#124

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astatt wants to merge 51 commits into

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feature/dynamic-bonding

Commits on Jun 10, 2020

Implement CPU dynamic bond forming algorithm
astatt
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Commits on Jun 24, 2020

Own neighbour tree for dynamic bonds
astatt
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Commits on Jul 2, 2020

first draft CPU version working
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Commits on Jul 3, 2020

Add Nparticle and box size change reallocation
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Commits on Jul 6, 2020

Commits on Jul 16, 2020

Bond sorting/selecting -> GPU
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Commits on Jul 27, 2020

Copied tree neighbor list, CUDA error
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Commits on Aug 4, 2020

Working version, need to check for group=all
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Commits on Aug 6, 2020

Commits on Aug 7, 2020

Switch to sorted possible bond pairs
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Commits on Aug 13, 2020

Downsize nlist from Nparticles to Ngroup1 size
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Commits on Aug 27, 2020

Cleanup unused variables/functions
astatt
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Commits on Apr 13, 2022

Merge branch 'main' into feature/dynamic-bonding
Antonia Statt
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Commits on May 24, 2022

cleanup
Antonia Statt
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Commits on Jul 7, 2022

Merge branch 'main' into feature/dynamic-bonding
Antonia Statt
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Fix stray merge leftovers
Antonia Statt
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Commits on Aug 2, 2022

Fix naming scheme for cuda 11
Antonia Statt
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Commits on Sep 13, 2022

Merge branch 'feature/dynamic-bonding' of https://github.com/mphowardlab/azplugins into feature/dynamic-bonding
Antonia Statt
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Add missing argument to DynamicBondUpdateGPU
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Add seed for random numbers
Antonia Statt
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Add missing seed argument
Antonia Statt
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Commits on Dec 19, 2025

Merge remote-tracking branch 'origin/main' into feature/dynamic-bonding
Antonia Statt
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Update namespaces,arguments etc to compile with hoomd 5
Antonia Statt
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Commits on Dec 20, 2025

Add python code
Antonia Statt
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add python code, export error
Antonia Statt
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Commits on Dec 22, 2025

remove unneccessary imports
Antonia Statt
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re-added __HIPCC__ flags
Antonia Statt
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Commits on Dec 23, 2025

fix compiler/export issues
Antonia Statt
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Commits on Mar 20, 2026

code dublication
Antonia Statt
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started fixing GPU implentation, still lots of issues
astatt
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Commits on Mar 23, 2026

mark issues in code
astatt
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Commits on Apr 29, 2026

Add test, not finished
Antonia Statt
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resolve merge
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need wrapper code for neighbor
Antonia Statt
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Commits on May 1, 2026

remove neighbor, use wrapper from Tree Neigh list
astatt
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Commits on May 4, 2026

add internal neigh list
Antonia Statt
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Merge branch 'main' into feature/dynamic-bonding
Antonia Statt
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Commits on May 6, 2026

replace aabb trees with neighbor list, first draft
Antonia Statt
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start GPU implementation
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remove stray autotuners
Antonia Statt
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delete stray m_stream leftover
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add missing thrust header
Antonia Statt
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Commits on May 8, 2026

fix unit tests for CPU code
Antonia Statt
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Commits on May 11, 2026

Commits on May 12, 2026

typo in defintion of copy_possible_bonds
astatt
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Commits on May 13, 2026

fix formatting
Antonia Statt
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remove leftover couts
Antonia Statt
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whitespace fix
Antonia Statt
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