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drop RepLieGroups dependency #306

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Merged
jameskermode merged 1 commit into from
Dec 3, 2025
Merged

drop RepLieGroups dependency #306

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16 changes: 7 additions & 9 deletions Project.toml
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Original file line number Diff line number Diff line change
Expand Up @@ -36,7 +36,6 @@ Polynomials4ML = "03c4bcba-a943-47e9-bfa1-b1661fc2974f"
PrettyTables = "08abe8d2-0d0c-5749-adfa-8a2ac140af0d"
Random = "9a3f8284-a2c9-5f02-9a11-845980a1fd5c"
Reexport = "189a3867-3050-52da-a836-e630ba90ab69"
RepLieGroups = "f07d36f2-91c4-427a-b67b-965fe5ebe1d2"
Roots = "f2b01f46-fcfa-551c-844a-d8ac1e96c665"
SparseArrays = "2f01184e-e22b-5df5-ae63-d93ebab69eaf"
SpheriCart = "5caf2b29-02d9-47a3-9434-5931c85ba645"
Expand All @@ -61,20 +60,19 @@ ChunkSplitters = "3.0"
EquivariantTensors = "0.3"
ExtXYZ = "0.2.0"
Interpolations = "0.15"
Lux = "1.25"
LuxCore = "1"
NamedTupleTools = "0.13, 0.14"
Optimisers = "0.3.4, 0.4"
Polynomials4ML = "0.5"
PrettyTables = "1.3, 2.0"
Reexport = "1"
SparseArrays = "1.10"
SpheriCart = "0.2"
StaticArrays = "1"
YAML = "0.4"
Lux = "1.25"
LuxCore = "1"
RepLieGroups = "0.1.1"
Optimisers = "0.3.4, 0.4"
Polynomials4ML = "0.5"
Zygote = "0.6, 0.7"
julia = "1.10, 1.11, 1.12"
SparseArrays = "1.10"
NamedTupleTools = "0.13, 0.14"
SpheriCart = "0.2"

[extras]
Test = "8dfed614-e22c-5e08-85e1-65c5234f0b40"
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2 changes: 1 addition & 1 deletion docs/src/index.md
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Expand Up @@ -24,7 +24,7 @@ ACE models are defined in terms of body-ordered invariant features of atomic env
### Key Dependencies

* [`Polynomials4ML.jl`](https://github.com/ACEsuit/Polynomials4ML.jl) : basic kernels for embeddings and tensors
* [`RepLieGroups.jl`](https://github.com/ACEsuit/RepLieGroups.jl) : coupling coefficients for equivariant tensors
* [`EquivariantTensors.jl`](https://github.com/ACEsuit/EquivariantTensors.jl) : tools to build equivariant tensors
* [`ACEfit.jl`](https://github.com/ACEsuit/ACEfit.jl) : unified interface to various regression algorithms
* [`AtomsBase.jl`](https://github.com/JuliaMolSim/AtomsBase.jl) : community interface for atomic structures / systems
* [`AtomsCalculators.jl`](https://github.com/JuliaMolSim/AtomsCalculators.jl) : community interface for computing properties of systems
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3 changes: 1 addition & 2 deletions src/models/ace.jl
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Expand Up @@ -6,7 +6,6 @@ using StaticArrays: SVector
using LinearAlgebra: norm, dot
using Polynomials4ML: real_sphericalharmonics, real_solidharmonics

import RepLieGroups
import EquivariantTensors


Expand Down Expand Up @@ -675,4 +674,4 @@ function evaluate_basis_ed(model::ACEModel,
dB = collect(permutedims(reshape(dB1, length(Rs), length(B)), (2, 1)))

return B, dB
end
end
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