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MSE-values, N_rays and ASE values are currently one-dimensional. Matlab code would be a bit clearer if we would actually use 1D-vectors to write the files.
This issue will be obsolete once #3 is impl…
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```
I can't discern any way to use a small footprint version of ASE in my
application to enable scripting support.
Will this ever become an option or is ASE strictly a scripting host
environment?
`…
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```
I can't discern any way to use a small footprint version of ASE in my
application to enable scripting support.
Will this ever become an option or is ASE strictly a scripting host
environment?
`…
-
```
I can't discern any way to use a small footprint version of ASE in my
application to enable scripting support.
Will this ever become an option or is ASE strictly a scripting host
environment?
`…
-
(Implement the decided upon integrator.
Split this into smaller tasks?)
Here we use integrators from ASE based of the ensemble.
Velocity verlet for NVE, Langevin for NVT.
WSten updated
3 years ago
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See also #1102
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pip install -r requirements.txt
Processing /home/conda/feedstock_root/build_artifacts/ase_1602722750108/work
ERROR: Could not install packages due to an OSError: [Errno 2] No such file or directory…
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Using the information we have for bulks, can we derive an easy Pythonic workflow with e.g. ASE for managing the creation of alloy or segregated surfaces?
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Hi, @Abyssaledge
Do you mind providing the detailed performance of FSD and CenterPoint baseline on Argoverse2 validation set, including ATE, ASE, AOE?
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Running the code below prints `False`, but I would expect it to print `True`.
```py
import ase
from ase import build
import numpy as np
from rascal.representations import SphericalExpansi…