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define AbstractPeriodicSystem
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lmiq committed May 16, 2024
1 parent b687793 commit de52321
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2 changes: 1 addition & 1 deletion Project.toml
Original file line number Diff line number Diff line change
@@ -1,7 +1,7 @@
name = "CellListMap"
uuid = "69e1c6dd-3888-40e6-b3c8-31ac5f578864"
authors = ["Leandro Martinez <[email protected]> and contributors"]
version = "0.8.30"
version = "0.8.31"

[deps]
Compat = "34da2185-b29b-5c13-b0c7-acf172513d20"
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7 changes: 5 additions & 2 deletions src/ParticleSystem.jl
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Expand Up @@ -1059,7 +1059,7 @@ module PeriodicSystems
Interface changes in v0.8.30, for `PeriodicSystems` submodule of CellListMap.
From v0.8.30 on, the `PeriodicSystems` submodule is deprecated and will be removed in future versions.
(code that works in v0.8.XX series will work in v0.8.30 through compatibility functions).
(code that works in v0.8.XX series will work in v0.8.3X through compatibility functions).
The same functionality can be achieved by using directly the `CellListMap` module and the
`ParticleSystem` data structure.
Expand All @@ -1068,16 +1068,19 @@ module PeriodicSystems
using CellListMap.PeriodicSystems => using CellListMap
system = PeriodicSystem(...) => system = ParticleSystem(...)
UpdatePeriodicSystem!(system) => UpdateParticleSystem!(system)
The new `ParticleSystem` interface supports non-periodic systems, by
not setting the `unitcell` field in the system (or set `unitcell = nothing`).
""" end _file=nothing _line=nothing
end
import ..CellListMap
const PeriodicSystem = CellListMap.ParticleSystem
const AbstractPeriodicSystem = CellListMap.AbstractParticleSystem
export PeriodicSystem
export AbstractPeriodicSystem
using ..CellListMap: map_pairwise!, map_pairwise
export map_pairwise!, map_pairwise
using ..CellListMap: update_cutoff!, update_unitcell!, unitcelltype
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2 comments on commit de52321

@lmiq
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@lmiq lmiq commented on de52321 May 16, 2024

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@JuliaRegistrator register

Release notes:

  • define AbstractPeriodicSystem for legacy ComplexMixtures support.

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Registration pull request created: JuliaRegistries/General/106958

Tagging

After the above pull request is merged, it is recommended that a tag is created on this repository for the registered package version.

This will be done automatically if the Julia TagBot GitHub Action is installed, or can be done manually through the github interface, or via:

git tag -a v0.8.31 -m "<description of version>" de523216d07b4c3b00fa10665c88c6e799c65697
git push origin v0.8.31

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