Faster simulations of fermionic quantum circuits.
Project description
ffsim
Faster simulations of fermionic quantum circuits.
What is ffsim?
ffsim is a software library for simulating fermionic quantum circuits that preserve particle number and the Z component of spin. This category includes many quantum circuits used for quantum chemistry simulations. By exploiting the symmetries and using specialized algorithms, ffsim can simulate these circuits much faster than a generic quantum circuit simulator.
Experimental disclaimer: ffsim is currently an experimental release. Breaking changes may be introduced without warning.
Features
- Fast simulation of fermionic quantum circuits that preserve particle number and the Z component of spin. ffsim supports the simulation of basic fermionic gates and includes specialized routines for simulation of molecular Hamiltonians in the "double-factorized" representation.
- Compatible with PySCF. State vectors use the same indexing convention as PySCF's
fcimodule.
Limitations
- There is no support for operations that do not preserve particle number and the Z component of spin.
Installation
In the future, binary wheels will be made available on PyPI. For now, you can install from source.
Installing from source
Installing ffsim from source requires a Rust compiler to be present on the system. A Rust compiler can be installed by following the instructions here. Once the Rust compiler is installed, ffsim can be installed by running the command
pip install .
from the root directory of the code repository.
Installing from source has only been tested in a Linux environment.
Known issues
- It may be a bit tricky to get OpenBLAS to link successfully. If you have issues, try the following:
- Run
pip install patchelf. - Run
pip install -e .twice in a row.
- Run
Development
To set up ffsim for development, install it from source in editable mode along with the development requirements:
pip install -e ".[dev]"
If you add or modify any Rust modules, rebuild them by running the command
maturin develop --release
Tests and other code checks are managed using tox. To run the default tox environments, simply run
tox
To run a specific environment, for example, to run the lint checks, do
tox run -e lint
You can also use pytest to run the tests directly. For example,
pytest tests/
Release history Release notifications | RSS feed
Download files
Download the file for your platform. If you're not sure which to choose, learn more about installing packages.
Source Distribution
Built Distributions
Hashes for ffsim-0.0.2-cp38-abi3-manylinux_2_17_x86_64.manylinux2014_x86_64.whl
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 | 050e26a6e92eea153a17bbed0f591c1d4ab32f19fb946ed71b8bdbb21e4c64e9 |
|
| MD5 | b26e2730112fa0d66434269d4115fa3d |
|
| BLAKE2b-256 | b2dc1fddc00b4cd9ab14705899c2bec53524596476d0a59349118cff6feb6c9d |
Hashes for ffsim-0.0.2-cp38-abi3-macosx_10_9_x86_64.whl
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 | 66f70e07c79951e735750692da4000e7ca3eb600c6bb5b672ef1269b31d926b3 |
|
| MD5 | 57b7482ed3143676374e1d05dc7ce376 |
|
| BLAKE2b-256 | ca0387ca38b7b74f9bc5df32c0cb755bc33b5c14630f26071d27e1e9187fb22c |
