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Showing posts from June, 2020

When Fourier transform meets total scattering

In this article, I am going to note down my bits of understanding for the role that Fourier transform is playing in total scattering regime. Quite often we hear people talking about real space or reciprocal space representation of the total scattering signal. Also, it's probably a common sense that the two spaces are coupled by Fourier transform. But if pulling ourselves out of those technical details for the moment and think about why Fourier transform comes into play in total scattering regime in the first place, sometimes we may find ourselves in a situation like 'um...but...why?' Before diving into the specific total scattering topic, I will first mention a little bit background about Fourier transform. Here I will not try to reproduce details about it from head to toe, since obviously a simple Googling will guide us to tons of available resources about such a topic. Therefore, there is no need at all to reinvent the wheel. Instead, I will pick up a very interesting vis

Build package with conda recipe - a minimal working example

There are indeed instructions and tutorials about how to build conda packages (which we can then install easily through conda, e. g. by simply executing 'conda install ...' from command line) with conda recipe. However, as a beginner to conda build, it was really difficult for myself to find the way out of pieces of information all over the place. I was trying to find a minimal example which then I can use as a template for further tweaking and potentially adding in new things according to my pwn need. It turns out that I could not find such a working example, and that's what this blog is really for - just to provide a very minimal working example to demonstrate the basic work flow of conda build. Here follows is a screenshot of the demo program, with which one can calibrate the total scattering in reciprocal space with the corresponding Bragg pattern. One can install this program by executing the following command from terminal: conda install -c apw247 sofq_calib Next, I w

Install DISCUS version 6 on Windows 10 - problem & solution

On my Windows 10 machine, I first tried to install DISCUS version 6 following the one-touch installation procedure and got the error relevant to 'HDF5'. Therefore, I turned to the manual installation procedures. During the installation, I have to install the 'libssl1.1' library manually. After successful installation of discus_suite on WSL ubuntu machine, I could not find the 'DiscusWSL' folder under 'C:\Users\DISCUS_INSTALLATION' as specified in the installation instruction. Instead, I have to manually copy the 'DiscusWSL' folder from WSL directory  '/home/discus/DIFFUSE_INSTALL/DiscusWSL' to the Windows folder 'C:\Program Files (x86)'. After the successful configuration following the manual installation instruction, I can lanuch the discus_suite terminal without problems. However, I came across the problem of not being able to start any xserver relevant service. For example, typing 'manual' within the 'suite' env