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Continuing a DMC run results in `nan` local energy.
**Describe the bug**
I tried to continue a DMC run for this H2O example: https://github.com/QMCPACK/qmcpack/tree/develop/examples/molecules/H2O
…
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**Is your feature request related to a problem? Please describe.**
Currently 1 which is a poor choice, running all the batches with batch size 1.
Preferred way, if user doesn't specify, align with V…
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**Describe the bug**
there seems to be a bug when defining charged cells for solids using develop. For a fundamental gap calculation or grand canonical ensemble, we have to add or remove electrons. H…
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[torch.Tensor.random_](https://pytorch.org/docs/master/tensors.html?highlight=random_#torch.Tensor.random_) is divergent from NumPy's [np.random.random](https://numpy.org/doc/stable/reference/random/g…
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- We believe TMC for FL is wrong
- https://github.com/scarrazza/apfel/blob/a6bd3c1198beb37497f0d21b3f03e690c00615db/src/DIS/FLlight.f#L56-L58
- APFEL Implementation corresponds to https://arxiv.org/…
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## 🚀 Feature
Documentation with examples showing how to load non-javascript assets into a Nebula Supernova Visualization that will be imported into Qlik as an extension.
### Motivation
It's c…
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Hello,
QliksenseTask stopped working since November 2019 upgrade.
throwing following error message:
2020_01_27_16_59_11,Debug,"calling https://servername.company.com/qrs/about"
2020_01_27_1…
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Making this tool easily deployable by Windows sysadmins will significantly lower barriers to adoption in NHS organisations
jbnuh updated
4 months ago
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I propose to work on refactoring `np.random.RandomState` usages in the code base to use the preferred `np.random.Generator` available starting from NumPy 1.17.
It was discussed in some issue (I can…
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### What version of Butler Sheet Icons are you using?
3.6.4
### What version of Node.js are you using? Not applicable if you use the standalone version of Butler Sheet Icons.
_No response_
### Wha…