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Code:
```
import jax
import jax.numpy as jnp
import numpy as np
import sys
import hoomd
import hoomd.md
from ecv.models import AutoEncoder
from ecv.models.encoders import MLP, EGNN
fr…
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Hi, I am trying to use the JavaScript version of LiquidFun to achieve a density based interactive simulation, where I change the density of a ball dynamically so that it floats or sinks or partially f…
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[input.txt](https://github.com/Warwick-Plasma/epoch/files/13804528/input.txt)
I would like to use EPOCH to simulate the interaction of the laser with an AI target, however, from the output it seems…
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# Abstract
Random sequential absorption (RSA) processes for dimers are a typical toy model find great applications in many critical surface science problems including H2 and O2 catalyst efficiency in…
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[GROMACS tutorial](http://www.mdtutorials.com/gmx/complex/01_pdb2gmx.html )
[GROMACS in the Cloud: A Global Supercomputer to Speed Up Alchemical Drug Design](https://doi.org/10.1021/acs.jcim.2c0004…
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- is zeroed in the beginning of a new stage simulation
- better be fixed
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Hi
I am using `scuff-transmission` to compute transmittance and reflectance of a Germanium Nanodisk Array. The geometrical parameters are:
- nd_r = 1000nm (disk radius)
- nd_h = 1000nm (disk height)
…
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The default value of a few configuration parameters in Geant4 have values that are helpful for initial development of a Geant4 application but are unhelpful when attempting to scale up to larger produ…
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```
Currently the FFTs in matvec are performed as x-z-y and grids along x and z are
divided among processors in parallel mode (at different steps).
If z and y FFTs are interchanged, then computing r…
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WHERE CAN I FIND THE .JSON FILE OF THE MPI DATA?