Menu

#9 Atom visualization, gv_geom.c compilation issue

1.0
open
nobody
None
2025-09-17
2025-09-17
No

Hey LUSCUS Devs,

I've had an issue both with compiling LUSCUS locally on my mac as well as visualizing atoms once running the program. I installed macports and XQuartz and was able to compile the program, but only after editing gv_geom.c- switching all instances of !finite to !isfinite. After obtaining the software, I attempted to visualize a .lus file obtained from a DFT calculation but for some reason I cannot view any atoms.

I've attempted to toggle on and off show atoms and bonds in the view time as well as adjust the vdw and bonding radii in atom properties but neither have resolved the issue.

Interestingly, the locations of atoms are known- as the atom labels are in correct positions. I am still able to view orbitals and charge density with the software. I'll attach some images of orbitals in the system as well as atom labels. Hydrogen atoms created in a new file also cannot be rendered.

Could you let me know if I'm experiencing some sort of user error, or if my patch to the source code to allow successful compilation may be leading to the issue I'm describing?

1 Attachments

Discussion


Log in to post a comment.