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CBDD / openduck

Open-source DUck (Dynamic Undocking)
http://www.ub.edu/bl/undocking/
Apache License 2.0
7 stars 3 forks source link

Add waters_to_retain as command line argument #3

Closed simonbray closed 1 year ago

simonbray commented 1 year ago

I mistakenly made some DuCK runs without specifying waters; it would be nice for this to be an argument on the command line.

AlvaroSmorras commented 1 year ago

I think as we are starting to give more flexibility to the user and adding variables to the input, the usage is getting too bloated. Even if most of the flags are optional, do you think it is ok to leave it like these, or it would be better to use a yaml file?