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I ran into the following error while trying to run periodic boundary conditions with a maximum/minimum refinement function.
```
An error occurred in line of file in function
void dealii::A…
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Hello,
I have a naive question...
I want to be able to pull a PDB File out every few steps or so (for some clustering/checking forces on ligand/etc).
For instance, when using a standard OpenM…
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Hi,
I recently stumbled upon this forum post (http://www.elmerfem.org/forum/viewtopic.php?f=3&t=7355) as I wanted to model a case with multiple discontinous boundaries and discovered the HeatSolveV…
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Implement new end conditions for the B-spline, e.g. Hermite and Natural end conditions.
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Hi,
If I set D=2, how do I set my type of lattice?
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Following on from our offline discussion, opening a new ticket to discuss what an API might look like for implementations of (1) full PME simulations based on a small asymmetric unit (i.e. space group…
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Some computations (Lüscher's open temporal for example) require open boundary conditions. QUDA needs an open BC option to support this. A first pass would be to identify the open BC and insert a zero …
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## ❓ Questions & Help
Do you have a `radius_graph` function for periodic structure?
Otherwise I will think how I can implement one and propose a PR, any suggestions?
So far we are using [`pymatge…
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I currently make Bartek's work in the `tm_functor_merge_two-flav-mshift` ready for merge into `devel`. The curious errors with undefined types `__m128d` have disappeared. Now the issue is that the Mul…