In this post I will extend the previously presented simple Schrödinger equation solver using the concepts of linear operators and closures.
In this post I will present a simple solver of the Schrödinger equation in python based on a real space formulism.
Recently, I have written a utility program for managing namelist based input in Fortran. I will describe the motivation for this program and demonstrate its utility in application.
Scientific software needs to print out information during the course of a run. In this post, I will describe three key features that program output should have, and compare various output formats by this rubric.
I describe my experience at the CPMD2017 workshop in Tsukuba Japan.