Nicholas Gao

icon indicating a website link n-gao.de icon indicating an email [email protected]

icon company Technical University of Munich icon location Munich, Germany icon location PhD Student @ TU Munich - Machine Learning on Graphs and Molecules

Results 13 issues of Nicholas Gao

Add support for multi node/task jobs

This PR adds support for multi-task/node jobs. ## Changes I made the following changes to support this: * The Python script is now executed via `srun bash -c` rather directly...

Focus on composition area when pressing a key

22 comment

### First time contributor checklist: - [x] I have read the [README](https://github.com/signalapp/Signal-Desktop/blob/master/README.md) and [Contributor Guidelines](https://github.com/signalapp/Signal-Desktop/blob/master/CONTRIBUTING.md) - [x] I have signed the [Contributor Licence Agreement](https://signal.org/cla/) ### Contributor checklist: - [x] My...

PR: Needs Review

`int2c2e` doesn't work

1 comment

It appears that the `int2c2e` function is not working properly. The following code doesn't work ```python import pyscf from pyscf.df.addons import make_auxmol from gpu4pyscf.df.int3c2e import get_int2c2e m = pyscf.gto.M(atom=''' C...

bug