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Use default dict for very minor speed increase
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rpmuller committed May 25, 2021
1 parent 78ee887 commit a91b71d
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2 changes: 1 addition & 1 deletion Manifest.toml
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Expand Up @@ -1315,7 +1315,7 @@ uuid = "02c8fc9c-b97f-50b9-bbe4-9be30ff0a78a"
version = "2.9.11+0"

[[XSLT_jll]]
deps = ["Artifacts", "JLLWrappers", "Libdl", "Libgcrypt_jll", "Pkg", "XML2_jll"]
deps = ["Artifacts", "JLLWrappers", "Libdl", "Libgcrypt_jll", "Libgpg_error_jll", "Pkg", "XML2_jll"]
git-tree-sha1 = "2b3eac39df218762d2d005702d601cd44c997497"
uuid = "aed1982a-8fda-507f-9586-7b0439959a61"
version = "1.1.33+4"
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1 change: 1 addition & 0 deletions Project.toml
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Expand Up @@ -5,6 +5,7 @@ version = "0.1.0"

[deps]
BenchmarkTools = "6e4b80f9-dd63-53aa-95a3-0cdb28fa8baf"
DataStructures = "864edb3b-99cc-5e75-8d2d-829cb0a9cfe8"
Dierckx = "39dd38d3-220a-591b-8e3c-4c3a8c710a94"
DifferentialEquations = "0c46a032-eb83-5123-abaf-570d42b7fbaa"
DocumenterTools = "35a29f4d-8980-5a13-9543-d66fff28ecb8"
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6 changes: 3 additions & 3 deletions README.md
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Expand Up @@ -45,9 +45,9 @@ Compare to roughly 0.1 sec albeit on *completely different hardware*. This is mo

| Basis | size | Huz | HGP |
| ------- | ------ | ------ | ------ |
| sto-3G | 16 | 1.71 | 0.044 |
| 6-31G | 30 | 6.56 | 0.217 |
| cc-pVDZ | 58 | 115.4 | 2.748 |
| sto-3G | 16 | 1.71 | 0.042 |
| 6-31G | 30 | 6.56 | 0.207 |
| cc-pVDZ | 58 | 115.4 | 2.586 |

The HGP results hopefully still have lots of room for speedups.
These last set of improvements are coming with a loss of accuracy from the interpolation.

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