A Simple Solver In Python

In this post I will present a simple solver of the Schrödinger equation in python based on a real space formulism.

A Program For Managing Namelists

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.

What should be the output format for scientific codes?

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.

CPMD 2017 Workshop

I describe my experience at the CPMD2017 workshop in Tsukuba Japan.

Sparse Matrix Conjugate Gradient

The conjugate gradient method is a commonly used approach to solve linear equations. In this blog I will describe the matrix generalization of this method and provide a toy implementation.