New answers tagged

2

I tried to answer the question in the github issue github.com/pyxem/diffsims/issues/176 Answer: The reason it doesn't work is that the calibration parameter of the diffraction pattern is not set. A diffraction pattern in diffsims is represented by a list of (x, y) coordinates in projected reciprocal space, and an associated intensities I. Together they ...


6

Learning Latex to create documents is like becoming a mechanic to learn how to drive a car. Lyx is based on the Latex typesetting system, but provides a content-focused "live preview" editor that doesn't expose the inner workings to the user. Advanced formatting is still possible, with lots of it made accessible to the user through meaningful GUI ...


9

NetworkX This is a widely-used Python library for graph theory stuff. Open source (https://github.com/networkx/networkx) under a 3-clause BSD license. Caveat: since this is a tool that knows nothing about chemistry, the "chemical" nature of the structure might get lost in the projection of the network (e.g., some bond lengths might not look ...


14

As a gentle, free (as in free beer and as in free speech) on-line introduction, I would recommend learnlatex.org. At the start, you choose one of currently eight languages (Catalan, German, English, Spanish, French, Marathi, Portuguese, Vietnamese). Subsequently, all teaching is going to be provided in this language only. Later, you enter 16 core lessons; ...


12

Complementary to the answer given by Nike Dattani with focus on file format, I would like to draw your attention to how you present the content visually in photos, schemes and diagrams known as artwork. Regardless of the file format eventually elected (where suitable, vector based like .(e)ps or .pdf), determine in advance the dimension of the illustration:...


12

I personally started with "The Not So Short Introduction to LaTeX", a PDF file that should come with most LaTeX distributions under the name "lshort.pdf". The document claims that it can be read in 139 minutes (the precise number depends on the version). I remember I didn't finish it in such a short time (perhaps the given time estimate ...


18

For scientific papers in matter modeling, I always use vector graphics (e.g. .eps, .pdf, or .svg, though the journals will not typically accept .svg format). I stopped publishing in ACS journals (e.g. JCTC and JACS) after they turned one of my vector graphics into a pixelated raster, before publishing it. Even though it was 2015, and I'd been publishing ...


8

You can install xcrysden using Xming and Cygwin without resorting to WSL and it worked well for me. Install XMing and RUN Install CYGWIN with the following packages: tcl-tk, tcl-togl, fftw3, libGL1, xorg-server, bash, bc,coreutils, grep, gzip less, util-linux, ImageMagick, tcl-tk8.6, tcl-togl, ImageMagick, xinit, mesa libfftw3_3, ...


Top 50 recent answers are included