Welcome to distopia’s documentation!¶
Jan 16, 2023
Distopia is a package to rapidly calculate distances under periodic boundary conditions. Explicit SIMD vectorisation allows awesome speedups over autovectorised code (up to 10x). The distopia package consists of consists of the python layer (distopia) and a C++ library (libdistopia) that does the heavy lifting.
Distopia can be used out of the box by building the library using the instructions in Building and testing distopia.
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_64 SIMD widths up to AVX512 are supported.
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!
- Building and testing distopia
- libdistopia C++ layer