#Riffle mathematica software#
#Riffle mathematica code#

Many thanks to Daniel Healion for the ReadCube and WriteCube functions. Visualising US COVID-19 Spread Graphically Using Mathematica. OutForm[num_?NumericQ, width_Integer, ndig_Integer, Cutoff for the asymmetric riffle shuffle Location Sequoia 200 Monday, Octo4:00 PM Mark Sellke (Stanford University) In the GilbertShannonReeds shuffle, a deck of N cards is cut into two approximately equal parts which are riffled together uniformly at random. The function OutForm is used here to mimic the printf function found in other programming languages. But at the button, you pass only one number to n when you call f n inside Table, that is why g1 and g2 gets only one number and as a result Riffle. the Riffle2 function that extends the standard Riffle function onto the case.

#Riffle mathematica code#

In the upper code part, n is a list of numbers. on the procedural and functional programming in the Mathematica system. In your case you need to define it only with f n.

In the process, we will create the text for an XYZ file, a format also developed by Gaussian. You define f with several argument however, you call it with only one argument. There exist many applications to visualize cube files, such as VMD or GaussView, but I wanted to take advantage of Mathematica‘s capability to easily combine graphics, as well as the ability to automate the process in order to efficiently create frames for a movie.įirst off, we need a function to extract the data from the cube file. These files contain volumetric data for a given orbital on a three-dimensional grid.

#Riffle mathematica software#

Typically, these are output from electronic structure software in the form of a cube file, first developed by Gaussian. Why does Riffle accept only lists as its first argument All other. These are used to describe the wave function of electrons in atoms or molecules. For the second part of this exercise, the function Riffle is perfect for this.

As a chemist it is often useful to plot electronic orbitals. Mathematica evaluates arguments to functions before passing them up to the.