-
Hello!
I have a very quick question: Does the `generate_fchl_acsf` method, which I think generates the "FCHL19" representation, support periodic boundary conditions? I couldn't find a basis argumen…
-
Hi, I was trying to use dolfinx to implement periodic boundary conditions and came across the dolfinx_mpc package.
However, when I try to run the demo_periodic3d_topological.py example, I run into n…
-
Currently, we have only interpolation operators that do not account for immersed boundaries.
I would like to introduce (in addition to the interpolation operators we already have) boundary-aware op…
-
Dear developers,
I find some new features have been released without updating the documents.
1. Implicit Solvation
all available solvents have been extended to GFN-FF method since…
-
In the [1D Notebook](https://github.com/dhruvbhagtani2105/toy-model/blob/deb7ee736ee9c948790398e96ba2b67868539c8b/1D_Fixed_and_variable_velocity_advection.ipynb):
- I can't see any comparisons with…
-
Imagine a pipe with periodic boundary conditions from the outlet to the inlet. To match the values from the inlet to the outlet, it would be great to have matching cells at the inlet and outlet bounda…
-
Dear Dr. Christopher D. Williams,
Thank you very much for your code. Could you please help me? I want to build periodic graphene oxides. Your code perfectly builds a non-periodic graphene oxide …
yel21 updated
10 months ago
-
There are a lot of things that will need to be removed or cleaned up once the evolution code changes are complete. I'll use this issue to try and keep track of them all, but I'm sure I'll miss some.
…
-
Currently, boundary conditions are specified using either `NamedTuple`s (for `TreeMesh` and `StructuredMesh`) or `Dict`s (for `P4estMesh`, `UnstructuredMesh2D`). It would be nice to allow both formats…
-
The boundary condition code is in a bit of a mess. I haven't tested anything beyond Sommerfeld and reflective conditions but I think these may be the only working non-periodic ones.
In the Sommerfe…