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Hm Working out how to do this - thinking a brain wizard or something silly like that
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I'm making my first steps with crest, mainly following the firsts examples in the documentation webpage.
I start by getting the alanineglycine geomtry from the there (https://crest-lab.github.io/cre…
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It's not clear to me if this is really a crenso bug, or rather censo, but I've run into this via crenso, so starting here...
Using crenso 1.0.6, crest 3.0.2, censo 2.0.2, starting a crenso job with…
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## Outline
We need a new crest for the new surveys team! Here are the ideas I have for the potential logo:
1. Hedgehog talking to an audience of other hedgehogs with a clipboard in hand.
E.g. th…
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Received the following error when `force constant` in `xtbinput`:
```
file present.
content of the constraining file (sorted):
> $constrain
> force constant=2
> distance: 2, 3, auto
Fo…
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Hi,
I am using this repo to build XEN DOM0 image to learn XEN, but when bitbak dom0-image, i have issue do_image_complete task.
Below is the log of error
ERROR: dom0-image-1.0-r0 do_image_complete:…
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Segfaults in `v3.0.2` but not `v3.0.1`
**To Reproduce**
```
2
H₂
H 0 0 0
H 0 0 1
```
`crest geom.xyz --ohess` or `crest geom.xyz --numhess`
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## Outline
Team AI Product Manager – me and Georgiy – enables you to chat Max the Hedgehog in the app. The fella helps you build successful products (currently by answering analytics questions). We…
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Hi,
I’ve been trying to run QCG calculations with 100 explicit chloroform solvent molecules for several compounds, but they keep crashing with various error messages. This might be related to issue […
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I don't get behind what the recent crest change wants to achieve.
On one character it simply shows my current amount as the total amount, On the character right next to it it shows higher (but incor…