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- [ ] Can utilize the _or_ functionality e.g `string(a|b)string`.
- [ ] Can utilize the `*` ,`+` and `?` to indicate zero or more occurrences and atleast one occurrence and zero one occurrence respect…
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United-atom types are quite popular in "data driven" force fields. For hydrocarbons the "virtual site" is located on the carbon atoms while the hydrogens are not accounted for explicitly. Hydrogens …
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I sometimes work with scientific code and it's inconvenient in some cases. When I program a formula, it is very convenient to enter it as is. For example, there's a formula `Z₀ = E / H` (the first rea…
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Hey @a-r-j, just pinging back here as promised yesterday with what probably could be considered a design doc for Graphein. I'm excited about this! I also know that my memory is gradually degrading as …
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Continuing the discussion from #5.
We will select two batches that have two DMSO clusters and a subset of plates to explore normalization options. Three normalization ideas are:
- Normalize the o…
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Is there any way to add a legend for a three d map? Similar to the one at this link: https://blueshift.io/election-2016-county-map.html
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Get kons-9 running with *read-default-float-format* set to 'double-float.
The problems arise mostly in the dependencies.
Furthermore, test with (pushnew :3d-vectors-double-floats *features*) for…
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I think the simulation of ClassicDSD has rounding / precision issues.
When does the issue arise?
When simulation CRN in ClassicDSD where the rate constants are numbers with very different magnitud…
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### Problem description
The hex tiles plot assumes linear axes only
https://github.com/bokeh/bokeh/blob/b627a152c21b6484de867db41b8163a74ebb9566/bokehjs/src/lib/models/glyphs/hex_tile.ts#L116-L117…
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**Describe the bug**
Chemically equivalent atoms in which a nonzero charge is delocalized (represented by resonance structures with the formal charge on different atoms) are assigned different torsio…