Skip to content

It is still not possible to specify the percent of forces to include in training with the python interface #12

@KMdraijer

Description

@KMdraijer

In featurize.py, passing a kwarg to write the forcepercent will result in a TypeError

for arg in kwargs:
            raise TypeError("Unexpected keyword argument '{}'".format(arg))

But to use aenet-PyTorch, one requires the following lines in the generate.in, as specified in the tutorial here:

forces
forcespercent 25

Metadata

Metadata

Assignees

No one assigned

    Labels

    No labels
    No labels

    Type

    No type

    Projects

    No projects

    Milestone

    No milestone

    Relationships

    None yet

    Development

    No branches or pull requests

    Issue actions