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**Describe the bug**
I'm getting different GFN2 energies for the same structure in xtb versions 6.2, 6.3.1, 6.4.0. I'm using the precompiled binaries in all cases. Here are the version specifics:
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## Describe the bug:
### Expected behavior: ###
I wanted to do a full chemistry simulation in 2 by 2.5-degree resolution in `GEOS-Chem 12.9.2`. I am using AWS, `c5.4xlarge` instance.
### Act…
map06 updated
3 years ago
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Hello, I wrote yesterday that the website wasn't working and you fixed it. I think it is broken again can fix it? Thank you.
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Hi support team,
I'm using the v12.9.3 model for the global OH simulation. I have a question. Though GEOS-Chem is predominantly used for simulating tropospheric chemistry, can i use this model to get…
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I see some open questions regarding which research is reproducible and which is not. Here are some hypothetical edge cases:
- My code is platform-specific assembler and can be run only on the blue gen…
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## Issue Description
It occurs to me that the classes in LibChemist are going to serve as the main input classes to many of the modules, hence we'll need to be able to access and manipulate them fr…
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---
id: vcell
version: 7.4.0.26
specificationsUrl: https://raw.githubusercontent.com/virtualcell/vcell/86a4ad9c795f8903a3ddb32f1fa2a7551c973208/biosimulators.json
specificationsPatch:
version: …
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Hello. I just heard about chemlambda after coming from a λ-calculus experience. I have many questions. Please only answer them if you have the time to.
1. How does Chemlambda relate to optimal lambda …
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## Describe the bug:
I get a "make: *** No rule to make target `install'. Stop." error when I enter "make install" at the command line to build the model version 13.0.0. This is Step 7 on this page:…
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Hi,
I really like the idea of this book.
Sadly, at least for me, the current build script does not correctly build the pdf.
I found in the git history this pdf version
https://github.com/f…