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Need for small QOL improvement for mtuq.event.Force #223

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thurinj opened this issue Aug 25, 2023 · 3 comments
Closed

Need for small QOL improvement for mtuq.event.Force #223

thurinj opened this issue Aug 25, 2023 · 3 comments

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@thurinj
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thurinj commented Aug 25, 2023

The mtuq.event.Force() is currently lacking a method that outputs the force vector as a dictionary.

It would be convenient to have a similar method that in [mtuq.event.Force()] (

mtuq/mtuq/event.py

Line 102 in ce9aab7

def as_dict(self):
)

so that it is easier to build an output dictionary to save it as a JSON file (as in DetailedAnalysis.py)
@rmodrak
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rmodrak commented Aug 26, 2023

@thurinj Could you please double check that this is correct?

https://github.com/rmodrak/mtuq/blob/db33907642652eb93a91d932004ffe641202065e/mtuq/event.py#L201

@thurinj
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thurinj commented Aug 28, 2023

Looks good to me!

@rmodrak
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rmodrak commented Aug 29, 2023

Added in #224

@rmodrak rmodrak closed this as completed Aug 29, 2023
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@rmodrak @thurinj