Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Constraints #32

Open
wants to merge 12 commits into
base: main
Choose a base branch
from
Open

Constraints #32

wants to merge 12 commits into from

Conversation

wgst
Copy link
Contributor

@wgst wgst commented Nov 17, 2023

No description provided.

atoms::JuLIP.Atoms{T}
constr::Matrix{M}
Copy link
Member

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

Probably it is fine here to require that the type parameter T of the atoms is the same as that for the matrix. Or if the constraints matrix is supposed to always contain ones and zeros I would suggest using Matrix{Int} instead.

Comment on lines -82 to +83
model = AdiabaticModels.JuLIPModel(at)
incl = ones(1,length(at))
model = AdiabaticModels.JuLIPModel(at,incl)
Copy link
Member

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

Instead of changing the test. I would add a constructor where the second argument defaults to ones for all degrees of freedom. In the unlikely event that anyone else is using this will ensure their code doesn't break.

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
None yet
Projects
None yet
Development

Successfully merging this pull request may close these issues.

2 participants