Skip to content

Non-database charge values allowed #4

@bjheinen

Description

@bjheinen

Setting a charge value not in the database causes an IndexError in calc_atomic_ff. Need to add error handling and a messagebox or validation in the composition table as the error isn't obvious if not checking the terminal.

Metadata

Metadata

Assignees

Labels

No labels
No labels

Projects

No projects

Milestone

No milestone

Relationships

None yet

Development

No branches or pull requests

Issue actions