Guillaume Fraux

Results 464 comments of Guillaume Fraux

Ok, so here is a plan to implement this feature: 1. Allow to store bonds/angles/... types in a Topology, and add functionality to retrieve it from C/Python/... 2. When reading...

This file is a bit strange: it starts with `CDF5` instead of the usual and expected `CDF2`. Reading around, `CDF2` seems to indicate 64-bit offsets (which are required by the...

That would be fine with me. We would need to change the `_colors` function https://github.com/lab-cosmo/chemiscope/blob/634136b3d09cc32c9b951d1eb76293b2a872ec9a/src/map/map.ts#L1050 to look more like the `_sizes` function, likely with a `calculateColors` function on the map...

> The ticks should become log scale as well in the color bar, but it doesn't and just displays raw exponent values. Behavior of the cartesian axes when log is...

So what I think is happening here is that we are inheriting the text color from the root HTML, and jupyter changes that to white in dark mode. The simplest...

We'll re-open this whenever we have time for it!

The compiler error comes from the interaction between `-march=native` (which selects an ARM CPU) and `-arch x86_64` which are both used as C++ compiler flag. The short term patch is...

This should be fixed by #403

This is a different error. #403 solved `error: unknown target CPU 'vortex'`, this does look a lot like trying to link arm code with x86_64 Python: > building for macOS-x86_64...