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This is because stage.2.dataimport downloaded an empty Components-inchi file. I fixed this by copying in the Components-inchi file from 2018 week 4 and rerunning on both staging and production. The or…
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Dear NWChem gurus,
I hope you are all well! In the BQ printing, there is a long-term issue, which is small though. I believe in _src/bq/bq_data.F_ all
`oprint = (ga_nodeid().eq.0).and.(printlevel.…
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Thank you for open-sourcing this.
Looking at definition of analytic signals, I've noted the transform from real to analytic to be `s(t) -> s(t) + js^(t)`, i.e. the _real part is preserved_. For eve…
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Could have sworn I submitted a request for this in the past, but I don't see it anywhere so here it is.
Instanced components should have an option for bilateral symmetry, in which case:
1) The num…
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Installing tutorial 14 fresh, I get the following error when running `nomad parse --show-archive tests/vasprun.xml.relax`:
```python
/home/nathan/Documents/nomad-parser-vasp/.pyenv/lib/python3.11/…
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The current implementation uses a pair of DFAs to keep track of all matches of all input patterns in the grid. This is suboptimal for 1x1 patterns, because each 1x1 pattern is matched by many differen…
kaya3 updated
2 years ago
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Hello All,
I am a amateur mathmatician who got interested by the puzzle.
What we are looking for is a way to generate all extensions of the previous unique shapes required to have generated all …
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_From @bob-carpenter on February 7, 2015 0:36_
It'd be nice to have sample covariance and correlation functions.
```
matrix[K,K] cov(matrix[N,K] x);
matrix[K,K] corr(matrix[N,K] x);
```
along wit…
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https://en.wikipedia.org/wiki/Ray_transfer_matrix_analysis is a good start. However, it only captures radial symmetry. Electron optics are generally not symmetric. The following properties are desirab…
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