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We are working on a multi-purpose web calculator application built with HTML, CSS, and JavaScript. Our aim is to incorporate matrix operations as one of its functionalities. The calculator already has…
Ctoic updated
10 months ago
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### 🚀 The feature, motivation and pitch
In the original implementation of the GPSLayer (found in [graphgps/layer/gps_layer.py](https://github.com/rampasek/GraphGPS/blob/main/graphgps/layer/gps_layer.…
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Add functions for retrieving temporary objects from a pool.
Most of the time Vector and Matrix instances are only needed for some calculations.
As weml types are Float32Arrays, creating loads of s…
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![image](https://user-images.githubusercontent.com/18487289/28380833-93171a50-6c6d-11e7-9bcf-f112951dcffc.png)
The inputs worksheet includes the campaign data for ES and ZN.
Columns J and P are the …
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### Feature details
Creating a Hamiltonian and performing VQE calculations starting from a DFT calculation using the [Quantum ESPRESSO package](https://www.quantum-espresso.org/). This would also i…
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### Issue type
Bug
### Have you reproduced the bug with TensorFlow Nightly?
No
### Source
source
### TensorFlow version
2.15.1
### Custom code
Yes
### OS platform and dis…
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Suggestion from Tim Blakely (Google):
"Depending on the use case, calculating the channels on the fly may be practical (and likely much cheaper). Along those lines, if most/all of the calculations …
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Determining a methodology to project the same size matrix regardless of the basis set used in DFT calculations. A way to accurately/scientifically aggregate full basis set functionals into the minimal…
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Sometimes evaluating a certain metric calculations can take up some time. So we want to cache these results using `dvc`. For that we consider the following `param.yaml` file
```yaml
experiments:
…