Astrid Yu comments

Results 28 comments of


                                            Astrid Yu

[REVIEW]: MD-SAPT: Python Based Toolkit for Running Symmetry Adapted Perturbation Theory Calculations on Molecular Dynamics Trajectories

I got builds to work, now I need to make it pass the conda-forge CI. Hopefully I should have it published on conda-forge by end of week. Sorry about the...

[REVIEW]: MD-SAPT: Python Based Toolkit for Running Symmetry Adapted Perturbation Theory Calculations on Molecular Dynamics Trajectories

It was finally merged into conda-forge after a lengthy process. I'll update the instructions in the paper once I get a chance.

[REVIEW]: MD-SAPT: Python Based Toolkit for Running Symmetry Adapted Perturbation Theory Calculations on Molecular Dynamics Trajectories

Hi @arfon @Kevin-Mattheus-Moerman, sorry for the late update, but we are ready to proceed again.

command to void drive

That sounds like a good feature to add. My pedestrian understanding of secure disk erasure is that there's several ways to do this, with varying effectiveness: - Many drives (but...

Distorted interface after escalating with sudo

ugh, this issue again. i'll see what i can do

Disk verification failed after burning xz compressed image

This problem is specifically with xz and nothing else?

Disk verification failed after burning xz compressed image

Apologies I haven't responded to this. I've been really busy with at work and I haven't had much bandwidth to look into it. I'm happy to accept PRs to fix...

verify downloaded file only - don’t burn

Sounds like a good idea. More verification steps are always good to have. I think that if we're going to add extra verification steps, though, we should also do those...