CHIKU PARIDA

icon indicating a website link https://chiku-parida.github.io/

icon company Technical University of Denmark (Danmarks Tekniske Universitet) icon location Denmark icon location A physicist who likes computations.

Results 2 comments of CHIKU PARIDA

Error when doing training: Segmentation fault

This is due PyTorch version. Reinstall the PyTorch correct version and it will work.

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 coordinates...