Add units and conversion capabilities to WPPF #1933
Conversation
This file contains hidden or bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
psavery
commented
Nov 7, 2025
psavery
force-pushed
the
wppf-unit-conversions
branch
from
f1ac0bd to
2631aed
Compare
Member
|
the last change is to use scientific notation for the |
This adds the basic capabilities for units and unit conversion to the WPPF module, and a few initial examples, including for lattice parameters. The lattice parameter lengths are automatically converted from nanometers to Angstroms for display (and back when the user modifies them). It also adds Angstrom units to the lattice lengths, and degree units to the lattice angles. We'll use this same infrastructure for other unit conversions. Signed-off-by: Patrick Avery <[email protected]>
Signed-off-by: Patrick Avery <[email protected]>
psavery
force-pushed
the
wppf-unit-conversions
branch
from
dec53f5 to
e1ec5ad
Compare
This was the default formatting that Qt was using before for floats. This keeps us from accidentally rounding smaller numbers to zero, like the anisotropic broadening parameters, which are often on the order of 1e-4. Signed-off-by: Patrick Avery <[email protected]>
Collaborator
Author
Done. I fixed the formatting of the floats to use what was being done before, which was actually correct (it displays 6 sig figs, and scientific notation if needed). |
Sign up for free
to join this conversation on GitHub.
Already have an account?
Sign in to comment
Add this suggestion to a batch that can be applied as a single commit.
This suggestion is invalid because no changes were made to the code.
Suggestions cannot be applied while the pull request is closed.
Suggestions cannot be applied while viewing a subset of changes.
Only one suggestion per line can be applied in a batch.
Add this suggestion to a batch that can be applied as a single commit.
Applying suggestions on deleted lines is not supported.
You must change the existing code in this line in order to create a valid suggestion.
Outdated suggestions cannot be applied.
This suggestion has been applied or marked resolved.
Suggestions cannot be applied from pending reviews.
Suggestions cannot be applied on multi-line comments.
Suggestions cannot be applied while the pull request is queued to merge.
Suggestion cannot be applied right now. Please check back later.
This adds the basic capabilities for units and unit conversion to the WPPF module, and a few initial examples, including for lattice parameters.
The lattice parameter lengths are automatically converted from nanometers to Angstroms for display (and back when the user modifies them).
It also adds Angstrom units to the lattice lengths, and degree units to the lattice angles.
We'll use this same infrastructure for other unit conversions.
Addresses part of: #1926