Zheng-Da He

icon indicating a website link https://zhengdahe.blogspot.com/ icon indicating an email [email protected]

icon company Florida State University icon location Tallahassee, Florida, United States icon location I'm currently a postdoc researcher in Florida State University (FSU), Tallahassee, US. I love programming, research and occasionally being lazy.

Results 4 comments of Zheng-Da He

Input parameters about PwRelaxWorkChain

This seems to be a version problem (I'm using the release version of 3.2.1). After `git clone path_repository` and `pip3 install -e .`, now it's working fine. The correct input...

Input parameters about PwRelaxWorkChain

Now it seems there is a small bug: * If I didn't add `relaxation_scheme` in the input dictionary for `PwRelaxWorkChain`, then the calculation will be `Excepted` with the error message...

ModuleNotFoundError: No module named 'tutorial_utils'

Hi Luthaf, Thanks for the reply. I will look into the `MLIP_example`, thanks for uploading these excellent tutorials. I'm trying to learn how to use SOAP as a descriptor in...

ModuleNotFoundError: No module named 'tutorial_utils'

Thanks so much! This will help me a lot.