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Project.toml
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name = "eTraj"
uuid = "e84e9fd6-fb60-4a95-a359-99d9c5aa2ce0"
authors = ["Mingyu Zhu <[email protected]> and contributors"]
version = "1.0.0-rc5"
[deps]
Dates = "ade2ca70-3891-5945-98fb-dc099432e06a"
Einsum = "b7d42ee7-0b51-5a75-98ca-779d3107e4c0"
Folds = "41a02a25-b8f0-4f67-bc48-60067656b558"
ForwardDiff = "f6369f11-7733-5829-9624-2563aa707210"
HDF5 = "f67ccb44-e63f-5c2f-98bd-6dc0ccc4ba2f"
JLD2 = "033835bb-8acc-5ee8-8aae-3f567f8a3819"
LinearAlgebra = "37e2e46d-f89d-539d-b4ee-838fcccc9c8e"
LsqFit = "2fda8390-95c7-5789-9bda-21331edee243"
NLsolve = "2774e3e8-f4cf-5e23-947b-6d7e65073b56"
OrderedCollections = "bac558e1-5e72-5ebc-8fee-abe8a469f55d"
OrdinaryDiffEq = "1dea7af3-3e70-54e6-95c3-0bf5283fa5ed"
Parameters = "d96e819e-fc66-5662-9728-84c9c7592b0a"
Pkg = "44cfe95a-1eb2-52ea-b672-e2afdf69b78f"
Printf = "de0858da-6303-5e67-8744-51eddeeeb8d7"
ProgressMeter = "92933f4c-e287-5a05-a399-4b506db050ca"
PyCall = "438e738f-606a-5dbb-bf0a-cddfbfd45ab0"
QuadGK = "1fd47b50-473d-5c70-9696-f719f8f3bcdc"
Random = "9a3f8284-a2c9-5f02-9a11-845980a1fd5c"
Reexport = "189a3867-3050-52da-a836-e630ba90ab69"
Rotations = "6038ab10-8711-5258-84ad-4b1120ba62dc"
SpecialFunctions = "276daf66-3868-5448-9aa4-cd146d93841b"
SphericalHarmonics = "c489a379-e885-57ff-9236-bd896d33c250"
StaticArrays = "90137ffa-7385-5640-81b9-e52037218182"
Unitful = "1986cc42-f94f-5a68-af5c-568840ba703d"
UnitfulAtomic = "a7773ee8-282e-5fa2-be4e-bd808c38a91a"
WignerD = "87c4ff3e-34df-11e9-37a7-516cea4e0402"
YAML = "ddb6d928-2868-570f-bddf-ab3f9cf99eb6"
libcint_jll = "574b78ca-bebd-517c-801d-4735c93a9686"
[weakdeps]
CodecZlib = "944b1d66-785c-5afd-91f1-9de20f533193"
[compat]
CodecZlib = "^0.7"
Einsum = "^0.4"
Folds = "^0.2"
ForwardDiff = "^0.10"
HDF5 = "^0.17"
JLD2 = "^0.5"
LsqFit = "^0.15"
NLsolve = "^4"
OrderedCollections = "^1.6"
OrdinaryDiffEq = "^6.51"
Parameters = "^0.12"
ProgressMeter = "^1.10"
PyCall = "^1.96"
QuadGK = "^2"
Reexport = "^1.2"
Rotations = "^1.7"
SpecialFunctions = "^2"
SphericalHarmonics = "^0.1"
StaticArrays = "^1.9"
Unitful = "^1.21"
UnitfulAtomic = "^1.0"
WignerD = "^0.1"
YAML = "^0.4"
julia = "^1.9"
libcint_jll = "^5.1.7"
[extras]
Test = "8dfed614-e22c-5e08-85e1-65c5234f0b40"
[targets]
test = ["Test"]