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The `create_directional_kpoints` method crashes when calling pymathen for molecules.
The relevant traceback:
```
pymat = structure.get_pymatgen_structure()
File "/home/bastonero/.conda/envs…
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Right now, the boundary conditions are specified as `AbstractVector{BoundaryCondition}`.
I suggest we make it `NTuple{D, BoundaryCondition}` (`D` is the dimensionality of the system):
- Tuple is c…
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Hello, I would like to request two interrelated features for running physical simulations with Warp.
- Periodic HashGrid:
- Currently, it seems impossible to implement periodic boundary conditio…
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**Describe the bug**
In a RANS computation of a 2.5D section of a wing, the periodic plane exhibits oscillations of pressure in the boundary layer. The issue is only present on the periodic face, not…
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Hello, I am unable to run the periodic demos using dolfinx 0.8.0 and dolfinx_mpc 0.8.0, with Python 3.12.6. The demos I can't run are the following:
- https://github.com/jorgensd/dolfinx_mpc/blob/v…
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**Description**
I am trying to use periodic boundary conditions using the `FluidDynamicsApplication` and the process `apply_periodic_condition_process`. The problem is that I am getting a segmentatio…
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Hi Lulu,
Thank you for the code library you developed, it has been very helpful to me.
I am currently working on solving a problem that involves periodic boundary conditions, as shown in the di…
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This issue is to discuss some possible improvements for Jastrow radial-cutoff default values. Particularly, in Nexus, J12 defaults to the largest radial cutoff allowed by the supercell in periodic bou…
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**Is your feature request related to a problem? Please describe.**
A quick diagram of the topic is presented in the second post below.
Dear developers, I work in the field of molecular dynamics wh…
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Click to expand!
### Issue Type
Feature Request
### Source
binary
### Tensorflow Version
2.10
### Custom Code
No
### OS Platform and Distribution
_No response_
### Mobile device
_No res…