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Merge branch 'hotfix/0.1.6'
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@galjos
galjos committed Apr 24, 2024
2 parents e6a964e + 309d852 commit 2247866
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2 changes: 1 addition & 1 deletion Project.toml
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@@ -1,7 +1,7 @@
name = "VibrationalAnalysis"
uuid = "04082e5c-1d57-4577-9a0f-61e6cd56dade"
authors = ["Josef M. Gallmetzer"]
version = "0.1.5"
version = "0.1.6"

[deps]
DelimitedFiles = "8bb1440f-4735-579b-a4ab-409b98df4dab"
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1 change: 0 additions & 1 deletion src/calculate.jl
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Expand Up @@ -48,7 +48,6 @@ julia> calculate(atom_masses, atom_coords, atom_charges, hessian)
```
"""

function calculate(atom_masses::Vector{Float64}, atom_coords::Matrix{Float64}, atom_charges::Vector{Float64}, hessian::Matrix{Float64})

# Symmetrize the hessian and mass weighting
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@galjos galjos commented on 2247866 Apr 24, 2024

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Registration pull request created: JuliaRegistries/General/105536

Tip: Release Notes

Did you know you can add release notes too? Just add markdown formatted text underneath the comment after the text
"Release notes:" and it will be added to the registry PR, and if TagBot is installed it will also be added to the
release that TagBot creates. i.e.

@JuliaRegistrator register

Release notes:

## Breaking changes

- blah

To add them here just re-invoke and the PR will be updated.

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 v0.1.6 -m "<description of version>" 2247866f23613ba8fc38ec0aeb6e34e5699ee938
git push origin v0.1.6

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