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y=tt.rand(2,11,3); yr=tt.reshape(y,[2,2**10]);
Error for ys=yr.round(1e-6)
Error for print(yr[1,1])
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Hello Rick
I am writing a package for quantum chemical calculations using the Monte Carlo method with python3 and [numba](https://numba.pydata.org/numba-doc/latest/user/5minguide.html)
While I w…
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### Expected behavior
The [TorchLayer demo](https://pennylane.ai/qml/demos/tutorial_qnn_module_torch/) should work with diff_method='parameter-shift'
### Actual behavior
It throws an error.
### A…
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## Description
Use screening based on the overlap between basis functions to improve performance.
## :books: Package Description and Impact
For large molecules, textbook expressions for quantitie…
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Opened issue to list here other Python libraries to be checked.
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reported by: @CloudyLex
arXiv:1305.1781v1 [astro-ph.GA] 8 May 2013
```
Photodissociation of interstellar N2
Xiaohu Li1, Alan N. Heays1;2;3, Ruud Visser4, Wim Ubachs3, Brenton R. Lewis5, Stephen T.…
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Thanks for making this fantastic resource available!
Is there a way you could make some description of the molecular topology (e.g. mol2 files) available? While the QM energies are clearly only dep…
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### Description
Several years ago, IBM Quantum researchers -- in collaboration with ExxonMobil -- studied how to formulate a particular optimization problem in a quantum-computing-friendly way. That …
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### Expected behavior
The value returned by the FABLE template with JIT enabled should be approximately equal to the value without JIT enabled.
### Actual behavior
The values are different.
### Ad…
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reported by: @CloudyLex
A&A 541, A76 (2012)
Surface chemistry in the interstellar medium�
I. H2 formation by Langmuir-Hinshelwood and Eley-Rideal mechanisms
J. Le Bourlot, F. Le Petit, C. Pinto, E. …