-
@kyleabeauchamp : Would you be OK with us pulling some of your fancy (G)HMC integrators into [`openmmtools.integrators`](http://openmmtools.readthedocs.io/en/latest/integrators.html) from https://gith…
-
From slack:
George Datseris:juliapool: Nov 6th at 7:00 PM
So we have a method that integrates many many initial conditions and maps the trajectories into a low-dimensional vector of ~10 numbers. I…
-
I am trying to solve the 1D Brusselator Reaction-diffusion equation:
![image](https://github.com/spectralDNS/shenfun/assets/60778417/b67e44f6-6115-4994-b22e-2efd15983d32)
However I am having issue…
-
# Hakai Dataset Submission
Below are listed all the different steps related to the initial submission of a dataset.
A more detailed written and visual description of every step is available resp…
-
Hello,
I'm trying to parameterize a fluorescent ligand in a protein using Espaloma template generator but I'm struggling to understand how to fix such an issue. It does not look self-explanatory an…
-
### Discussed in https://github.com/cta-observatory/ctapipe/discussions/2630
Originally posted by **cbadams2** October 29, 2024
I may be missing something, but I've been struggling to find cle…
-
The following warnings were generated during installation on a Surf Research Cloud (SRC) Ubuntu v22.04 system while installing X-PSI. I used the `basic_environment.yml` file to create my environment a…
-
-
Hi.
I'm trying to simulate droplet system with applied spherical potential.
But it constantly explodes even though I reduced step size to 0.5 fs and modified the potential parameters.
The fol…
-
**Description:**
Based on the description of the `Name` property of the property mediator given [here](https://mi.docs.wso2.com/en/4.3.0/reference/mediators/property-mediator/). The `Property Name` p…