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[This paper](https://doi.org/10.1016/j.ijhydene.2023.12.089) with the title "Direct Z-scheme construction of C_2N/Mg(OH)_2 heterojunction and first-principles investigation of photocatalytic water spl…
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Dear author,
Hello. Thank you very much for publishing your work. I am greatly benefited from studying. In the post-processing stage, I have a question. When processing a group in Paraview, I chose…
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Hi all,
I am relatively new to OpenMM and had a question about simulations with CustomNonBonded forces. I am running a simulation using a CustomNonBonded Force such that each atom type has a disti…
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This is a proposal for a new package to aid in testing concurrent code.
```go
// Package synctest provides support for testing concurrent code.
package synctest
// Run executes f in a new goro…
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@wsmoses
```
ERROR: LoadError: Enzyme execution failed.
Enzyme: Not yet implemented, mixed activity for jl_new_struct constants=Bool[1, 0] %91 = call noalias nonnull {} addrspace(10)* ({} addrs…
jlk9 updated
4 months ago
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Stemming from [this comment](https://github.com/CEED/libCEED/pull/1088#pullrequestreview-1177915045):
> At some point, we may want to reflect on making our options orthogonal, and maybe -bc_inflow 1 …
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This is a continued issue for issue #6 as the original case failed for both 2D and 3D if there exists `boundary_condition_periodic` in `boundary_conditions`. I will update this issue later.
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Dear all,
I am looking for a way to do nonlinear elastostatics with varying stiffness (e.g. per tet) and subject to boundary conditions of the form `u_right = A(x) u_left`, where `A` is a spatially…
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### Description
Create a JavaScript module that periodically calls the `propagateRoot` method on the `LineaStateBridge` contract using ethers.js and the Linea SDK. This module will automate the pro…
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We need to settle how to handle non-ThermoML datasets within the `PropertyCalculator` framework, most immediately for calculation of equilibrium expectation values of other properties.
As noted here …