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M-asaki-K / OCPmodels_seminar

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OCPCalculator error #2

Closed iMasak closed 8 months ago

iMasak commented 8 months ago

I have an error on this command:

#Define the calculator
calc = OCPCalculator(config_yml=config_yml_path, checkpoint=checkpoint_path, cpu = False)

I corrected; "checkpoint=checkpoint_path" --> "checkpoint_path=checkpoint_path", and it worked. Is it due to a difference in the version of OCPCalculator or so? thank you,

M-asaki-K commented 8 months ago

Thank you for your question.

As you pointed out, the cause of the error is due to a version difference in OCP. The notebook I created was based on the OCP tutorial (#314, https://github.com/Open-Catalyst-Project/ocp/blob/2ffe8bc93416b51908247a5bad655df10f65636c/tutorials/OCP_Tutorial.ipynb). I would like to note that the version I referred to was from the end of 2022.

calc = OCPCalculator(config_yml=config_yml_path, checkpoint=checkpoint_path)

Following an update, the argument name in OCPCalculator has been changed from 'checkpoint' to 'checkpoint_path'.

iMasak commented 8 months ago

I appreciate for your quick feedback. thank you,