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**Submitting author:** @frssp (Sunghyun Kim)
**Repository:** https://github.com/WMD-group/CarrierCapture.jl
**Version:** v0.1
**Editor:** @danielskatz
**Reviewers:** @utf, @taylor-a-barnes
**Managing…
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Not really computational chemistry but I like this example http://nbviewer.jupyter.org/github/arm61/demos/blob/master/uncertainty_propagation.ipynb?flush_cache=true
arm61 updated
4 years ago
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# Report a GEOS-Chem bug or technical issue
## Describe the bug
My code died 3 hours into a run, but it should have run for 24 hours.
## To Reproduce
Include the steps that must be done in ord…
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Good afternoon. Not exactly an issue but a question.
Our group has generated several large theoretical libraries based on combinatorial chemistry for the common structures/substitutions we anticip…
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From @bjmorgan
Should we include a "what is this course for / overview" at the beginning of the handout and in the lecture content? At the moment the handout reads like the students are doing a pr…
arm61 updated
4 years ago
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Locally a build of this site takes ~90s.
Heroku has 60s limit on boot time, it retries once and jekyll sometimes runs faster the second time. Here is a profile of a standard build:
```
bundle e…
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There is an [alternative UMI protocol](https://www.protocols.io/view/guide-seq-simplified-library-preparation-protocol-wikfccw) for the original GUIDEseq protocol, [github here](https://github.com/npp…
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Hello.
I have instaled nwchem version 6.8.1 from repositories on CentOS 7 (yum install nwchem-mpich.x86_64 nwchem-openmpi.x86_64), but when I run "nwchem_openmpi wat.nw" I get:
0:Segmentation Vi…
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**Submitting author:** @tonigi (Toni Giorgino)
**Repository:** https://github.com/giorginolab/vmd_diffusion_coefficient
**Version:** v1.2
**Editor:** @labarba
**Reviewer:** @jrperilla, @HaoZeke
**Arch…
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**Submitting author:** @utf (Alex Ganose)
**Repository:** https://github.com/SMTG-UCL/sumo
**Version:** v1.0.4
**Editor:** @kyleniemeyer
**Reviewer:** @jarvist, @cfgoldsmith
**Archive:** 10.5281/zenod…