-
-
Notifications
You must be signed in to change notification settings - Fork 175
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
No dummy atom appears when adding centre of mass #1664
Comments
Is this still an issue? |
Testing adding the centre-of-mass with benzene with the coordinates:
With my local Qt5 build, the
For reference that looks like: Meanwhile with my local Qt6 build, when I add the centre-of-mass all atoms disappear and the coordinates of the dummy atom have a NaN in them:
It seems odd that one build should be different to the others so let me checkout all the current master branches and rebuild. |
Nope, this definitely still happens on an up-to-date Qt6 build. Even though it doesn't with the Qt6 Flatpak. |
Oh, and similar to what I just wrote in #1657, if I add the CoM in the problematic build without any atoms selected, it shows the same behaviour as all the other builds (the same incorrect position i.e. |
This is with the current nightly AppImage, haven't tested with other versions yet.
Avogadro version: (please complete the following information from the About box):
Desktop version: (please complete the following information):
Describe the bug
Selecting atoms and then choosing
Build
>Add Centre of Mass
doesn't cause a dummy atom to appear.However, the dummy atom does appear in the Atomic Coordinate Editor as an atom with element
Xx
, as expected.Can anyone reproduce this on a non-Linux system?
The text was updated successfully, but these errors were encountered: