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The current ES solver generates spurious fields close to the left boundary. Please see plot of E_z below ran with periodic BC. Roelof already found a solution using a SuperLU solve as you can observ…
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The example below throws an error.
```julia
julia> grid = RectilinearGrid(size=(4,4,4,), extent=(1,1,1))
4×4×4 RectilinearGrid{Float64, Periodic, Periodic, Bounded} on CPU with 3×3×3 halo
├── Pe…
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See also issue #791.
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Hello!
I'd like to get some clarification on how OpenMM handles boundary crossings with periodic boundary conditions.
For reference, when dumping a trajectory in LAMMPS, you can request the unwr…
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Hi there!
I have a specific job that processes hundreds of thousands of records every 5 minutes, like this:
```ruby
class MyJob
include Sidekiq::Job
sidekiq_options queue: "heavy", unique…
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Hi,
I have been getting surprising results running waterbox simulations with the `torchani` vs the `nnpops` implementation of `ani2x`. I used the `openmmtools` waterbox testsystem with an edge leng…
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# Motivation
The propagation of waves in periodic media is governed by the eigenvalue problem
$$L u = \omega^2 u$$
where $L$ is a linear operator that is periodic with a period defined by the uni…
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Hi,
is there an implementation of particle injection in PIConGPU?
Motivation:
Since you recently implemented a reflecting wall, one useful setup would be of a collisionless shock front. For examp…
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We tried to do the bonus plots of problem4 for different temperatures and we noted something weird: $m$ is doing fine but $m^2$ is not following the expected curve.
```cpp
double true_m2(double beta…
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I am wondering if your code will function properly with periodic structures (e.g., in the computation of the symmetry functions for the atoms)?