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## Description
In the current atmosphere history files in UFS, the tracers are output as the mixing ratio against the total air mass including the cloud hydrometers. While the pressure fields are out…
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## Motivation
AiiDA is mostly used in the chemistry and materials science domains, where Python is very popular. Many users, therefore, will have Python-based codes that they want to use through or…
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I'm a big fan of a good visualisation. I'm going to start thinking about some possible visualisations using [[R] and Shinyapps](https://shiny.rstudio.com/gallery/). Any assistance and ideas welcomed o…
TS404 updated
4 years ago
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- [x] I believe this to be a bug with Open Babel
- [ ] This is a feature request
## Environment Information
Open Babel version: 3.1.1
Operating system and version: Ubuntu 20.04 LTS
## Expecte…
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For the exact same setup, a Pop III simulation on Setonix GPUs show a very different evolution as compared to CPUs. The initial density projections on both are identical:
![plt00000_Projection_z_ga…
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**Problem:**
OSSU is growing, developing, and maintaining several degree programs that all require the same basic skills; the courses required to build these skills should be packaged into an "OSSU F…
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To help ensure that people are providing all the information required with a forcefield (e.g., Original source, who created it, etc.) it might be worth it to create what is basically just an XML vers…
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It's crucial we ensure that all relevant co-authors are identified and have a chance to input on the paper.
I've invited Mark Gardner (ex Pfizer) to comment/come to a writing session, and am in tou…
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Dear Dr. Ragnar Bjornsson:
I am a PhD student in Theoretical Chemistry, and I would like to follow your program to provide an interface to OpenMM for our group's own QM program, but I don't want to w…
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https://www.sciencedirect.com/science/article/pii/S0010218018301019#!
Abstract
Numerical simulations of counterflow laminar diffusion flames impinged by sub-breakdown DC electric fields are perfor…