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.

Sign up for GitHub

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

Jump to bottom

Allow FileReduction to save DynamicsVariables types #345

Open
Alexsp32 opened this issue Jun 4, 2024 · 0 comments
Open

Allow FileReduction to save DynamicsVariables types #345

Alexsp32 opened this issue Jun 4, 2024 · 0 comments
Labels
enhancement New feature or request

Comments

@Alexsp32
Copy link
Member

Alexsp32 commented Jun 4, 2024

The underlying ComponentVectors can be stored in their flattened representation, which the FileReduction would convert into a (N_atoms * N_dofs * 2 components + electronics) x N_snapshots Matrix. We should then also offer a function to rebuild DynamicsVariables vectors which takes a user-provided "recipe" for DynamicsVariables (i.e. the same way they set up a simulation) to rebuild from this Matrix.
@Alexsp32 Alexsp32 added the enhancement New feature or request label Jun 4, 2024
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Assignees
No one assigned
Labels
enhancement New feature or request
Projects
None yet
Milestone
No milestone
Development

No branches or pull requests
1 participant
@Alexsp32