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I still have some old stuff to finish up in Cambridge, but the next step, which I think is relatively low hanging, would be to enable good support for spatial models.
Two main categories would be:
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**TL;DR**: the `seed` argument of `system.thermostat.set_lb()` doesn't actually set the random number generator (RNG) seed of the LB particle coupling code. Instead, it sets the lag time in the RNG se…
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微博内容精选
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**Submitting author:** @IlianPihlajamaa (Ilian Pihlajamaa)
**Repository:** https://github.com/IlianPihlajamaa/ModeCouplingTheory.jl
**Branch with paper.md** (empty if default branch):
**Version:** 0.…
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Brownian themorstat is fine, though
```python
import numpy as np
import espressomd
use_brownian = False
system = espressomd.System(box_l=3 * [10])
system.time_step = 0.1
system.cell_system.…
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MNWE:
```python
from espressomd import System
import numpy as np
system = System(box_l=3 * [1.])
system.time_step = 0.01
system.cell_system.skin = 1
part = system.part.add(pos=3 * [0.], rotat…
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**Submitting author:** @marvinschmitt (Marvin Schmitt)
**Repository:** https://github.com/stefanradev93/BayesFlow
**Branch with paper.md** (empty if default branch): joss-submission
**Version:** v1.1.…
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The virtual particles displace themselves to the neighboring periodic box images. But the folded positions are still correct.
```python
import numpy as np
import espressomd
import espressomd.virtu…
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## Description
I am looking to implement protracted colored noise dynamics (PCND) as a publishable contribution in HOOMD-blue. PCND is a method that adds stochastic noise in order to increase …
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Hi Lane,
On the in-house HPC (A100), the MD part of the simulation is over and took 2 days less than the single A4000 card.
Now I just ran the converge step. I got the following output from this ste…