Jordan Garside
Jordan Garside
@mkrompiec We're working on dev branch on gitlab. Just shoot me an email with your email and I can add you ([email protected]) if you're interested. :)
It can also be helpful to print the output of ~~~sh which python which pip python --version pip --version ~~~ to make sure they all agree (or `which python3` and...
Try just running `sudo pip install -e .` again from the TensorMol directory. It should work, if not then you could just wait a few weeks and it'll likely have...
Is there any way to work around this at the moment? We're looking to use the enum values for some enums.
Yeah it looks like I also had issues with the pypi installs for both, For Vibora [try this](https://github.com/vibora-io/vibora/issues/195#issuecomment-423196635): ``` pip uninstall vibora pip install Cython git clone https://github.com/vibora-io/vibora.git cd vibora...
It needs to be recompiled with the newer EliteMMO version. It’s not super easy to do if you don’t have experience with Visual Studio/C#. Maybe @Mykezero can create a new...
So is the conclusion that you need a different bluetooth adapter if you suffer from this issue (slow/sequential commands post-9.5)? This is what I have at the moment: [Long Range...
Yeah I was thinking Cartesian. With a program like [TensorMol](https://github.com/jparkhill/TensorMol) hessians can be computed semi-cheaply. pyberny works well as-is with TensorMol, the approximate hessian just becomes too expensive for 100s...
Yeah I'll get back to you on this when all of it's easy to test/work with.
:+1: Not sure how I'm going to deal with state not being saved right now.