Author: Guido

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CP2K in the cloud

This article describes how to deploy a Microsoft Azure compute instance to use with a CP2K compiled from scratch. First, you need an instance. Login to MS Azure and switch to the resources tab...

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MS SQL Server: Cannot connect via VPN

If you have a MS SQL Server that is reachable in the local network (from remote machines) but it is not accessible if you connect via VPN (you get error 26), then the reason...

rsq-mc-5 0

When not to use R squared

Ever wondered how relevant the R^2 value of any data series actually is? Sometimes, you see reasonably good coefficients of determination (depending on your scientific discipline and research question, "reasonably good" means something between...

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Secure Plesk Webmail with SSL

Plesk 12.5 (together with the Let's Encrypt plugin) is a convenient tool that comes with batteries included for most cases. However, webmail is only accessible via SSL with the self-signed certificate by default. Some...

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Unrecognized DCD header in CP2K

DCD files are quite versatile but suffer from nearly non-existing documentation. They can hold atomic coordinates, velocities and forces - all designated by a different DCD file header: CORD, VEL, FRC. CP2K allows the...