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

Converting complex numbers from out.xml #105

Closed
janssenhenning opened this issue Jan 25, 2022 · 0 comments · Fixed by #106
Closed

Converting complex numbers from out.xml #105

janssenhenning opened this issue Jan 25, 2022 · 0 comments · Fixed by #106
Labels
enhancement New feature or request parser/fleur Issues related to the file parsers for fleur xml-functions

Comments

@janssenhenning
Copy link
Contributor

janssenhenning commented Jan 25, 2022 •
edited
Loading

For example the LDA+U density matrix is written as a matrix of complex numbers, which makes the output very concise but requires special handling for reading it

The type is StringVecType so a special alias needs to be introduced once again, e.g. FortranComplex and FortranComplexVecType
@janssenhenning janssenhenning added enhancement New feature or request parser/fleur Issues related to the file parsers for fleur xml-functions labels Jan 25, 2022
@janssenhenning janssenhenning mentioned this issue Jan 26, 2022
Merged
@janssenhenning janssenhenning linked a pull request Jan 27, 2022 that will close this issue
Fleur Schema complex number support #106
Merged
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 parser/fleur Issues related to the file parsers for fleur xml-functions
Projects
None yet
Milestone
No milestone
Development

Successfully merging a pull request may close this issue.

Fleur Schema complex number support JuDFTteam/masci-tools
1 participant
@janssenhenning