Skip to content

[BUG] - view.view doesn't display opt information on failed TeraChem optimizations #86

@hotmeme

Description

@hotmeme

Describe the bug
I have a TeraChem optimization that was run with a simple ProgramInput. After 100 some iterations, the optimization failed due to SCF failure. If you try to view.view this ProgramOutput, you will see no information tracking the optimization. I want to see the number of optimization steps, plotted against the energy of each step. Generate that optimization step number vs. energy plot. It does not generate for this calculation type if the calculation fails for any reason, no matter how many steps it gets through.

To Reproduce
Run view.view on the attached ProgramOutput

Expected behavior
It won't show the optimization plot.

Compag_112.json

Metadata

Metadata

Assignees

No one assigned

    Labels

    bugSomething isn't working

    Projects

    No projects

    Milestone

    No milestone

    Relationships

    None yet

    Development

    No branches or pull requests

    Issue actions