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### Is there an existing issue for this?
- [X] I have searched the existing issues
### Bug description
I found in PoseTrainingRunner.step(), this line "target = underlying_model.get_target(outputs,…
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I've noticed in recent work that the Meson contraction outputs a rather different XML structure to the WardIdentity contraction. This means downstream tooling to read and analyse these quantities need…
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Implement a simple method to transform the pose estimation data from every video to a common coordinate system.
Related to #3, though there we discussed a bit more sophisticated options.
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When I run an analysis, I often discard the beginning of the trajectory, or I run it on a portion of the trajectory only. I think of these portions of trajectories in term of simulation time rather th…
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I'm planning to make some changes in the `Reporter` to split the two monolithic `netcdf` files into more manageable chunks. This is what I'm thinking now:
- Solute trajectory: One `xtc` file per re…
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I am attempting to apply `velocity_from_position` to xarray.DataArrays of lon, lat, and time. I have been following a [tutorial](https://docs.xarray.dev/en/stable/examples/apply_ufunc_vectorize_1d.htm…
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As pointed out by @MaxThevenet and @soerenjalas, it is often useful to call openPMD-viewer methods for each timestep of a timeseries, and it would be nice to have an API that does this automatically. …
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## Is your feature request related to a problem? ##
We currently have several ways to attach additional information to a timestep, including the `Aux` methods and the catch-all `ts.data` dict. So…
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### Expected behaviour
When I want to get hydrogen bonding frequencies (```h.count_by_type()```) in combination with the ```update_selections``` flag, it should built the proper frequencies table.
…
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Hi, this is my first time to use Julia, I have installed the Julia 1.4 version on windows. And then I download this SFA program manually. But I don't konw how to run this program? Can you give me some…