Frequently Asked Questions

Program Use

Is it ok to use the version in the master branch?

Yes. All of the same regression tests are run on the master branch before any commits are merged back into it. This means the master branch is at least as safe as any release. However, the documentation in the master branch may be incomplete.

Theoretical Background

What texts should one read to understand NTPoly?

First there is the primary article describing NTPoly:

Dawson, William, and Takahito Nakajima. "Massively parallel sparse matrix function calculations with NTPoly." Computer Physics Communications (2017).

Next, I recommend this textbook for an overview of matrix functions:

Higham, Nicholas J. Functions of matrices: theory and computation. Vol. 104. Siam, 2008.

The following paper presents a very grounded review of the application of matrix functions to networks:

Estrada, Ernesto, and Desmond J. Higham. "Network properties revealed through matrix functions." SIAM review 52, no. 4 (2010): 696-714.

Finally, for linear-scaling methods in electronic structure calculations, there is this recent review by Bowler and Miyazaki:

Bowler, D. R., and Tsuyoshi Miyazaki. "Methods in electronic structure calculations." Reports on Progress in Physics 75, no. 3 (2012): 036503.