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In some cases when dealing with simulation, where particles can end up not being as closely packed as initially or at edges of a numerical point domain, the default kernel_value will start to give err…
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I just looked at some data in 2Dmatpedia. They simulate 2D materials. I however noticed that in one of their structures, some of the atoms stick through the top of the simulation volume. Apparently th…
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Do periodic boundary conditions still work? Assume for now only cylindrical coords, i.e. independent periodic coords, rather than spherical
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### Description
I have changed the code in https://github.com/pmocz/pic-python to cupy api. A warning arised:
`Changing the sparsity structure of a csr_matrix is expensive. lil_matrix is more effici…
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This looks a relevant paper: http://onlinelibrary.wiley.com/doi/10.1002/gamm.201410004/pdf
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I have defined a CustomNonbondedForce to calculate the non-bonding force between LIPF6 and EMC, but the original non-bonding force in the system needs to be deleted. I use nbforce.addException(i,j,0.0…
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Hi all,
I have two problems when using Underworld (version 1.7.0).
(1) I find it's wired that when I run a 3D subduction model (similar to _Capitanio(2011)_'s configuration) at cell number of 96x64x96…
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After updating to julia 1.8.2 and updating branch to main, I tried running the validaton experiment `resting_stratified_bumpy_ocean.jl` and it failed. @fadaie91 also tried the same thing, and saw the…
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I sort of stumbled upon this accidentally -- for some reason (that I'm currently trying to figure out), some variables passed from aospy to the upwind advection schemes in infinite-diff used dask arra…
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Hi Justin,
As you suggested, I would like to continue the discussion [#2188](https://github.com/openmm/openmm/issues/2188#issue-369291557) here. Let me first start with the MELD standard test. The …