Xing Wang

Results 50 issues of Xing Wang

The `structure.get_ase()` method currently outputs an uncontrollable element tag. For instance, if there is a StructureData with a kind having name = `X` and element = `Pt`, the resulting aiida.coord.xyz...

```python viewer.ops.selection.select_all() viewer.ops.transform.translate(vector = [5, 0, 0]) ``` ![image](https://github.com/user-attachments/assets/e65a4a1a-21d1-46d1-adb5-3b2a093da1be) In the GUI, when translating atoms using `g,` the `TransformControls` call confirmOperation to redraw the atoms and update the labels.

### Steps to reproduce ```python from aiida.cmdline.utils.ascii_vis import build_call_graph ``` I called `build_call_graph` every three seconds to get the status of a process. This is used to update the GUI...

type/bug
topic/verdi
priority/important
topic/engine

To gain an overall view of feature requests related to WorkGraph, I'm opening this issue to collect and track them in one place. While creating individual issues for each request...

topic/daemon
type/feature request
topic/engine
topic/processes

Here are my processes ``` 13709 2D ago Cp2kCalculation ⏵ Waiting Transport task update was cancelled 13713 2D ago Cp2kCalculation ⏵ Waiting Transport task update was cancelled 13714 2D ago...

type/bug
priority/important
topic/persistence

### Version: nglview: 3.0.6 ipywidgets: 7.7.4 ### Step to reproduce - Create a structure with only one atom in the unit cell. - Call `center` method ```python import nglview from...

Support #228 - Remove all shape keys - Store data as an `attribute` instead of `positions` of new objects.

## The current design Shape key is used to store the trajectory data for animation. Each frame is stored in a sheep key. ## Repalce shape key with the `attribute`...

@alchem0x2A I created a branch `blender-4.2`. Please merge your PR related to 4.2 to this branch. Some critical issues: - [ ] Docker image for Blender 4.2 for the unit...

It would be good to support restart from: ``` Finished [501] The maximum number of optimization steps reached. ```

enhancement