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

Enable printing ClusterExpansion as a latex table #364

Open
qchempku2017 opened this issue May 8, 2023 · 1 comment
Open

Enable printing ClusterExpansion as a latex table #364

qchempku2017 opened this issue May 8, 2023 · 1 comment
Assignees
Labels
documentation Improvements or additions to documentation enhancement New feature or request

Comments

@qchempku2017
Copy link
Collaborator

qchempku2017 commented May 8, 2023

Is your feature request related to a problem? Please describe.
When writing details of cluster expansion in supplementary materials, one needs to manually convert cluster expansion representation string into a latex table object, which is not very convenient.

Describe the solution you'd like
1, Add an export_latex_table method to directly output correlation function information into a latex table.
2, This method should also require more information than currently provided in the pretty string, including down to the 3rd longest distance in a cluster, the corresponding species in bit_combo, and potentially the sub-lattices that each site in the cluster belongs to.
3, Allow adjusting the decimal precision of output. Having only 3 decimal is far from enough.

Describe alternatives you've considered
Please describe alternative solutions or features you have considered.

@qchempku2017 qchempku2017 added the enhancement New feature or request label May 8, 2023
@lbluque
Copy link
Collaborator

lbluque commented May 9, 2023

Thanks @qchempku2017. I think this should be handled as two different things:

  1. exporting latex tables (with any decimal precision you want). I suggest this not be hard-coded into the source since it is not a critical functionality, but simply convenience for some people, and IMO will just add bloat to the code making maintenance and testing harder. As an alternative, I suggest writing an independent function that does that for you, and if you want to share it (bc some people will likely benefit from that), then add it in an example notebook.
  2. If the current decimal precision used in the "pretty string" is not enough, then we simply need to update it to one that is.

@lbluque lbluque added the documentation Improvements or additions to documentation label May 9, 2023
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
documentation Improvements or additions to documentation enhancement New feature or request
Projects
None yet
Development

No branches or pull requests

2 participants