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Hi,
I want to determine how much I can increase the slice_thickness parameter for a specific multislice simulation and I ran into an issue with the abtem.stack() function while testing multislice con…
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Hi,
I'm currently working on a molecular dynamics simulation project that involves multiple protein chains within the same system. These chains are structurally independent (i.e., no covalent bonds…
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Hi!
I'm attempting to test GlobalOceanBioME on a gpu, and am interested in doing some test runs and validation of the global model using LOBSTER with carbonate chemistry, eventually at higher reso…
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The document and its name seem to suggest it's used for setting [Dirichlet boundary condition](https://en.wikipedia.org/wiki/Dirichlet_boundary_condition), but is it true? If I set `tspan = (0, 0.7)` …
xzczd updated
7 months ago
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This issue is for informing us about .mdp files so that we can structure our experiments with intent.
Please see the [official guide](https://manual.gromacs.org/current/user-guide/mdp-options.html) …
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Hello,
When I set the oblique planewave source following [this FAQ](https://meep.readthedocs.io/en/latest/FAQ/#how-do-i-create-an-oblique-planewave-source), I notice that one shoud set the amp_func a…
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Hi and thank you for the great package.
We would be interested in trying to use torchmd-net to train force fields for crystal structures. As far as I can see the main changes that would have to be …
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I would like to have other options of padding for tf.pad and convolution ops.
Some types that come to my mind right now:
- reflect
- constant value (other than zero)
- maybe implement other options o…
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**Describe the bug 🐞**
Attempting to solve a nonlinear system of PDEs. Successful through discretization but error encountered when solving. I was told this is an unusual error.
**Expected behav…
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Over in https://github.com/scipy/scipy/issues/8218 we are discussing how to implement "wrap" mode (i.e. periodic boundary conditions) for `label` and other morphological functions. (This issue is just…