bernstei

By the way, I made a mistake: `sdl=True` *does* run. I forgot to install after building. Only `sdl=False` (and commenting out `-lmkl_def`) fails for me now. Anyway, I have a...

The regex in #363 would match `AAA-bbb`, but not `bbbAAA`, because it requires that the capital letter come first. If the regex syntax allows logical or, I think you could...

I've also discovered that the alphanumeric mobileconfig leads to the following regex in the xml returned by `pwpolicy -getaccountpolicies` ``` policyAttributePassword matches '^(?=.*[0-9])(?=.*[a-zA-Z]).+' ``` This _definitely_ matches both `5a` and...

Thanks. Just for my edification, does anyone understand why a `customRegex` field in the mobileconfig makes it MDM-only?

I see that the `"Temp"` column detection is only being done for `lammps` input format. Is there a reason it can't also be done for `table`?

I was able to get it to work (at least that part) by adding `--param-from-input-file-column Temp TEMPERATURE --param-from-input-file-column Volume VOLUME`, but I had expected (based on the `--help` output) that...

> So you mean PCA for a big dataset that is a collection of subsets, and then plot the PCA of the subsets on different panels? Yes, I think so....

Note that from what I can tell if you call `compute_atomic_descriptors` but not `compute_global_descriptors`, you get an `ASAPXYZ` object that cannot be written. If you want to write it (so...

On Oct 13, 2020, at 8:04 AM, Bingqing Cheng wrote: I think you are right. I'm a bit snowed under these couple of days but will fix it before the...

Thanks - that's a good start. I'm trying to figure out how to do the multiple maps on the same axes from issue #52 (or at least same PCA vectors),...