Welcome to distopia’s documentation!

Release

Date

Sep 30, 2021

Distopia is a package to rapidly calculate distances, angles and dihedrals under periodic boundary conditions. Explicit SIMD vectorisation allows awesome speedups over autovectorised code (up to 10x).

Distopia can be used out of the box by building the library using the instructions in Building and testing distopia, importing the distopia.h header into your awesome code and linking your program to the libdistopia static object.

The core distopia functions and how to use them is described in Core Distopia Functions .

Current Status:

Distopia is currently under active development and should be considered pre 0.1.0. This means the API is liable to change rapidly without warning.

OS and compiler support:

We currently support x86 linux and mac-os machines, and the Clang and GCC family of compilers. Windows and MSVC support along with explicitly vectorised ARM code is on the TODO list. x86 SIMD widths up to AVX2 are supported. AVX512 and related extension support is more complicated due to a heterogenous featureset and is also on the TODO list.

Participating:

Ask questions on the mdnalysis-discussion mailing list and be part of the conversation. You can also join the MDAnalysis Discord Server to talk with other users and developers. (In order to join our Discord server, use the following invitation. Please report bugs or enhancement requests through the Issue Tracker. Distopia is open source and welcomes your contributions. Fork the repository on GitHub and submit a pull request!

Indices and tables