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The integration scheme for Langevin dynamics is not documented, at least I could not find something in the documents or code comments. LD can be done in different ways with a Verlet scheme, in Espress…
fweik updated
5 years ago
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and not of `CellSystem`, it's not related to the cell system. It also should have a default value.
fweik updated
5 years ago
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dbebye_hueckel: outdated
villard: Segfaults if no graphics display
load/save_checkpoint are waiting for more tolerant parameter type checkint (int,float)
load_properties misses a file (no save_propert…
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In current version, Force Directed Graph has showing small oscillations during the initial animation with specific data sets. To avoid the oscillations and improve the animation smoothness, changes in…
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## Description
MPCD doesn't use pair potentials for efficiency, but it can use external forces. MPCD should allow the user to put the MPCD particles in some sort of external force field, e.g., a co…
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## 1. Printing inside the individual functions vs. printing in main
Some of the code examples print the results directly inside the `verlet` function. Others have the functions return the results and…
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A while back, we had a focused effort with Fluvio on improving solver stability by utilizing different integration methods. These never shipped to Asset Store users. During our research process, we im…
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Hi Frederik,
I tested the Hybrid Monte Carlo sampler and I found several issues. I copy below my comments to some parts of the code.
- [x] general remark: batch_size should be full, and if it…
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I removed the prior and added the inverse temperature pre-factor into the acceptance criterion. I tested HMC on the harmonic oscillator (1 point data set), the parameters chosen as
```
import TAT…
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Hi,
I have some question about equations in body update function. I was trying to implement some simple top-down car model and my computed forces was giving some strange effects. I looked into the c…