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### Bug Description
`update_charge` from `rmgpy/molecule/molecule.py` does not recognize cutting labels when more than 1 processes are used for reaction generation with `react` from `rmgpy/rmg/react.…
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If you specify a gp_coordinate for certain species, explicitly ie. `add_species=F`, and provide no data for it, then the fitting program exits with a segementation fault much later than when the descr…
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atom-live-server auto reload not working
## Repro Steps
1. ctrl-alt-l launch server [First Step]
2. display html file in browser [Second Step]
3. change html file and save [third step]
**Exp…
rsail updated
3 years ago
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When I construct a mol2 file using openbabel from a smiles string with a formal charge in it, I get a charge section in my mol2 file:
```
@UNITY_ATOM_ATTR
7 1
charge 1
```
in between the ATO…
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In site class add spin variable.
Set spins for given atom type when creating lattice.
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The number being displayed for the cursor position is the _character_ number, not the _column_ number.
**Observed behavior:**
The issue can be easily demonstrated by using hard tabs instead of sof…
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I have two possible variations on the same theme:
Two-level system:
![julia-atoms-logo-two-level](https://user-images.githubusercontent.com/117947/50225553-2b256600-03a1-11e9-88b3-70ba12445a0f.png…
jagot updated
5 years ago
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### Prerequisites
* [x] Put an X between the brackets on this line if you have done all of the following:
* Reproduced the problem in Safe Mode: https://flight-manual.atom.io/hacking-atom/…
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### Prerequisites
* [x] Put an X between the brackets on this line if you have done all of the following:
* Reproduced the problem in Safe Mode: https://flight-manual.atom.io/hacking-atom/se…
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Hi, Nikos!
Could you help with one problem: i made json-file with grammar (include cyrillic symbols).
All works fine, but tokens "и", "И" behave strangely =)
In word "Привет" symbol "и" will be h…