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When using simple implicit solvent simulation on default options with GROMACS 2018, the fallowing error message is generated during gmx mdrum:
```
Fatal error:
Domain decomposition does not support…
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Shape-based constraints have a particle representation `Particle ShapeBasedConstraint::part_rep` which is default-constructed, therefore its particle id is always `-1`. This causes an issue when a rea…
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Hi, I've noticed a problematic hessian when using product manifold with special orthogonal group.
The code I used for testing is enclosed below, my pymanopt version is [2.0.1](https://github.com/py…
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### 1. 이진 분류 Binary Classification
* 신경망을 구현할 때는 전체 학습 세트를 돌리는데 for문을 사용하지 않고 처리
(cf. m개의 학습 표본을 가진 training set가 있으면, m개의 training example에 대해서 for문을 돌리면서 하나씩 training set를 처리 하는 방법 )
* 신경망에서…
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I'm looking to utilise the gauge fixing routines, specifically CoulombOVR, but they seem to be fixed to MILC order. Does QUDA have an easy workflow to switch from QDP ordered on the host to MILC order…
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[GROMACS tutorial](http://www.mdtutorials.com/gmx/complex/01_pdb2gmx.html )
[GROMACS in the Cloud: A Global Supercomputer to Speed Up Alchemical Drug Design](https://doi.org/10.1021/acs.jcim.2c0004…
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# Story description
## Overview
In _The Code Book_ (by Simon Singh), there are a number of code-breaking challenges of (roughly) increasing difficulty [1]. One of the early challanges is to bre…
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Mark suggests to start at the begining of the guinier region: reasonable
But where to stop ? dq*Dmax
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This checklist collects a wishlist and/or plan that David and I discussed (in August 2023) for feature development in HOHQMesh. There is no timeline for said features so this issue is planned to stay …