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                                            Sourin Dey

How to extract structures and relevant properties after recon, gen and opt tasks?

> 1. Could you please explain how to extract data from the outputs of recon, gen and opt tasks? @txie-93 > > 2. How will we control the number of...

How to extract structures and relevant properties after recon, gen and opt tasks?

> I found an alternative way to extract the generated structures. You can load the files as torch tensors. Then you can extract the related tensors like cell parameters, fractional...