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Project.toml
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name = "NQCDynamics"
uuid = "36248dfb-79eb-4f4d-ab9c-e29ea5f33e14"
authors = ["James <[email protected]>"]
version = "0.15.0"
[deps]
AdvancedHMC = "0bf59076-c3b1-5ca4-86bd-e02cd72cde3d"
AdvancedMH = "5b7e9947-ddc0-4b3f-9b55-0d8042f74170"
ComponentArrays = "b0b7db55-cfe3-40fc-9ded-d10e2dbeff66"
DEDataArrays = "754358af-613d-5f8d-9788-280bf1605d4c"
Dictionaries = "85a47980-9c8c-11e8-2b9f-f7ca1fa99fb4"
DiffEqBase = "2b5f629d-d688-5b77-993f-72d75c75574e"
Distributions = "31c24e10-a181-5473-b8eb-7969acd0382f"
FastBroadcast = "7034ab61-46d4-4ed7-9d0f-46aef9175898"
FastLapackInterface = "29a986be-02c6-4525-aec4-84b980013641"
HDF5 = "f67ccb44-e63f-5c2f-98bd-6dc0ccc4ba2f"
Interpolations = "a98d9a8b-a2ab-59e6-89dd-64a1c18fca59"
LinearAlgebra = "37e2e46d-f89d-539d-b4ee-838fcccc9c8e"
MKL_jll = "856f044c-d86e-5d09-b602-aeab76dc8ba7"
MuladdMacro = "46d2c3a1-f734-5fdb-9937-b9b9aeba4221"
NQCBase = "78c76ebc-5665-4934-b512-82d81b5cbfb7"
NQCDistributions = "657014a1-bd25-4aa2-92cb-cbcede0310ad"
NQCModels = "c814dc9f-a51f-4eaf-877f-82eda4edad48"
Optim = "429524aa-4258-5aef-a3af-852621145aeb"
OrdinaryDiffEq = "1dea7af3-3e70-54e6-95c3-0bf5283fa5ed"
Parameters = "d96e819e-fc66-5662-9728-84c9c7592b0a"
PeriodicTable = "7b2266bf-644c-5ea3-82d8-af4bbd25a884"
ProgressMeter = "92933f4c-e287-5a05-a399-4b506db050ca"
QuadGK = "1fd47b50-473d-5c70-9696-f719f8f3bcdc"
Random = "9a3f8284-a2c9-5f02-9a11-845980a1fd5c"
RecipesBase = "3cdcf5f2-1ef4-517c-9805-6587b60abb01"
RecursiveArrayTools = "731186ca-8d62-57ce-b412-fbd966d074cd"
Reexport = "189a3867-3050-52da-a836-e630ba90ab69"
RingPolymerArrays = "81cd853e-d334-476c-b156-f95acc8a32dc"
Roots = "f2b01f46-fcfa-551c-844a-d8ac1e96c665"
Rotations = "6038ab10-8711-5258-84ad-4b1120ba62dc"
SciMLBase = "0bca4576-84f4-4d90-8ffe-ffa030f20462"
StaticArrays = "90137ffa-7385-5640-81b9-e52037218182"
Statistics = "10745b16-79ce-11e8-11f9-7d13ad32a3b2"
StatsBase = "2913bbd2-ae8a-5f71-8c99-4fb6c76f3a91"
StochasticDiffEq = "789caeaf-c7a9-5a7d-9973-96adeb23e2a0"
StructArrays = "09ab397b-f2b6-538f-b94a-2f83cf4a842a"
TimerOutputs = "a759f4b9-e2f1-59dc-863e-4aeb61b1ea8f"
UnPack = "3a884ed6-31ef-47d7-9d2a-63182c4928ed"
UnicodePlots = "b8865327-cd53-5732-bb35-84acbb429228"
Unitful = "1986cc42-f94f-5a68-af5c-568840ba703d"
UnitfulAtomic = "a7773ee8-282e-5fa2-be4e-bd808c38a91a"
[weakdeps]
MACEModels = "29bafc4c-4f38-420f-a153-8a5a5e0bd5f6"
[compat]
AdvancedHMC = "0.5, 0.6"
AdvancedMH = "0.8"
ComponentArrays = "0.11, 0.12, 0.13, 0.14, 0.15"
DEDataArrays = "0.2"
Dictionaries = "0.3, 0.4"
DiffEqBase = "6"
Distributions = "0.25"
FastBroadcast = "0.1, 0.2, 0.3"
FastLapackInterface = "1, 2"
HDF5 = "0.15, 0.16, 0.17"
Interpolations = "0.13, 0.14, 0.15"
MuladdMacro = "0.2"
NQCBase = "0.2"
NQCDistributions = "0.1"
NQCModels = "0.9"
Optim = "1"
OrdinaryDiffEq = "5, 6"
Parameters = "0.12"
PeriodicTable = "1"
ProgressMeter = "1"
QuadGK = "2"
RecipesBase = "1"
RecursiveArrayTools = "2, 3"
Reexport = "1"
RingPolymerArrays = "0.1"
Roots = "1, 2"
Rotations = "1"
SciMLBase = "1, 2"
StaticArrays = "1"
Statistics = "1"
StatsBase = "0.33, 0.34"
StochasticDiffEq = "6"
StructArrays = "0.6, 0.7"
TimerOutputs = "0.5"
UnPack = "1"
UnicodePlots = "2, 3"
Unitful = "1"
UnitfulAtomic = "1"
julia = "≥1.9"
[extras]
CSV = "336ed68f-0bac-5ca0-87d4-7b16caf5d00b"
DataFrames = "a93c6f00-e57d-5684-b7b6-d8193f3e46c0"
DiffEqDevTools = "f3b72e0c-5b89-59e1-b016-84e28bfd966d"
DiffEqNoiseProcess = "77a26b50-5914-5dd7-bc55-306e6241c503"
FiniteDiff = "6a86dc24-6348-571c-b903-95158fe2bd41"
JLD2 = "033835bb-8acc-5ee8-8aae-3f567f8a3819"
JuLIP = "945c410c-986d-556a-acb1-167a618e0462"
Logging = "56ddb016-857b-54e1-b83d-db4d58db5568"
MKL = "33e6dc65-8f57-5167-99aa-e5a354878fb2"
Plots = "91a5bcdd-55d7-5caf-9e0b-520d859cae80"
PythonCall = "6099a3de-0909-46bc-b1f4-468b9a2dfc0d"
SafeTestsets = "1bc83da4-3b8d-516f-aca4-4fe02f6d838f"
Statistics = "10745b16-79ce-11e8-11f9-7d13ad32a3b2"
Symbolics = "0c5d862f-8b57-4792-8d23-62f2024744c7"
Test = "8dfed614-e22c-5e08-85e1-65c5234f0b40"
[targets]
test = ["Test", "SafeTestsets", "CSV", "DataFrames", "DiffEqNoiseProcess", "FiniteDiff", "DiffEqDevTools", "Logging", "MKL", "PythonCall", "JuLIP", "Symbolics", "Statistics", "Plots", "JLD2"]