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As environmental concerns continue to rise globally, majority of the industries, enterprises, and governments have started taking serious initiatives toward the reduction of their carbon footprint. Se…
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@yanxon
Check out my latest updates on pyxtal.
I just changed it a bit.
If you want to do optimization, use the following,
```python
from pyxtal.interface.vasp import optimize
strucs, energ…
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The above instruction `pip install multi-vector-simulator[report]` can not install everything on windows that is required for the report. This connects to the necessity to have a `.yml` file (#476).
…
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**Gammapy version**
1.1
**Bug description**
Attempting to resample the reconstructed energy axis of a dataset yields unexpected results.
**Expected behavior**
For a dataset, make two copies. …
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Outputs produced in **Energy minimization with Psi4 (QM), OpenMM (MM)** #12 should be directly consumable via an entry-point in `openff.benchmark.geometry_optimization`. We need the following included…
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Q. Feng, S.C. Chu, J.S. Pan, J. Wu and T.S. Pan, "Energy-Efficient Clustering Mechanism of Routing Protocol for Heterogeneous Wireless Sensor Network Based on Bamboo Forest Growth Optimizer", /Entropy…
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## **Current Problem**
We have a direct need to be able to plot how the energy of the states converges to local minima (ground-state of Ising Hamiltonian for which the CQM is constructed from) when u…
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Hey, Im currently working a lot with VCA. I read the VCA paper + "Green Video Complexity Analysis for Efficient Encoding in Adaptive Video Streaming".
I wanted to ask whether the optimization is u…
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Follow CM's advice and include a drift time correction in the A/E routine.
Here, in general, two options are possible:
- Do a combined fit for the Compton bands and optimize for minimal sigma function…
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When two protein strands are placed in proximity to each other in 3D space, the CTNRG command measures their inter-strand binding energy with an option to move the second strand along an axis of motio…