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I hit these issues when setting a field on an immersed boundary grid.
```
ERROR: LoadError: MethodError: no method matching ξname(::ImmersedBoundaryGrid{Float64, Periodic, RightConnected, Bounded, O…
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**Description**
When dumping the interchange to GROMACS format, too many atom types are created. This is completely fine in terms of compatibility with GROMACS, but it is causing huge memory pressure…
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* Using ERA5 analysis, model level data
* minimum requirement as given here - https://mptrac.readthedocs.io/en/latest/meteorological-input-data/ - is lnsp,z,t,u,v,w,q
* after reading file for a cert…
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**Describe the bug**
This part of the code:
https://github.com/zerothi/sisl/blob/115479f6e54591de16196986fe01526380497ca7/src/sisl/physics/densitymatrix.py#L913-L926
which finds atoms with an o…
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Dear Gao and TorchANI developers,
I ran into an issue with ANI to run the MD simulation using GPU. Attached is my code in case you wanna have a look.
The question is that, how to attach the GPU …
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Dear all,
now i probably might not use this for what it's meant to be used for, given that (from what i can gather) that this project is mainly targeting a problem in chemistry. (?)
I'm looking to…
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I run your simple [ode](https://github.com/jdtoscano94/Learning-PINNs-in-Python-Physics-Informed-Machine-Learning/blob/main/2_SimpleODE.ipynb) solver using PINN. It seems that the model perform well o…
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In the process of testing the DD branch I ran the test problem (`Hi.in`) following the "Getting Started" instructions (using a "standard" linux system with GNU compilers using `CELLO_PREC=double`).
…
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(This is to capture a discussion with @benharsh over on gitter channel)
Current behavior of StencilDist is confusing. Assume the following is run by two locales:
```chpl
var space = {0..7};
va…
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## Overview
### Continuous Green operators
The (continuous) Green operator `Γ` is a linear operator that maps a *field* in `ℝ^d` onto a *field* in `ℝ^d`. It is attached to a specific physics: el…