Nicholas Sofroniew

Results 20 issues of Nicholas Sofroniew

## ❓ Questions and Help I've recently been doing some stuff with comboboxes where i have very small values like `50e-9` to represent 50 ns in units of seconds. When...

question

I was about to code something up as a one off (and probably still wise for me to start there) but then I thought it might be ultimately a nice...

enhancement

Hello! I'm new to OpenMM and would like to use it to estimate vibrational frequencies and normal modes of molecules. My understanding is that this could be done by doing...

enhancement

* dask-image version: 0.2.0 * Python version: 3.7 * Operating System: Mac OSX ### Description I'm interesting in getting movie files - `.mov`, `.mpeg`, `.avi` (basically anything readable with ffmpeg)...

enhancement

# Description This PR picks up on discussion https://github.com/napari/napari/issues/4694#issuecomment-1183794908 to explore moving mesh generation for the vectors layer to the vispy visual. This approach has the advantage of consolidating complex...

bug
refactor
tests

Can we make it so napari logo appears in my web-browser as a little icon instead of the default gray globe when you're at napari.org - like how the github...

xarray is a library for N-D labeled arrays and datasets in Python http://xarray.pydata.org. If we allow xarrays to be passed to napari-gui then we could autopopulate labels of sliders etc....

feature

It would be nice if the PR # on release notes were links - see https://napari.org/release/release_0_4_13.html

documentation
enhancement
P3

This PR begins work towards #12 by adding an initial [airspeed velocity](https://asv.readthedocs.io/en/stable/index.html) compatible benchmark. airspeed velocity must be installed and configured to run them. Right now it includes just one...

**Describe the bug** There is a bug in the `optimal_geometry` function add in #11 for DFT case **To Reproduce** Steps to reproduce the behavior: ```python import dqc moldesc = "O...