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A package to simplify working with symmetry-adapted quantum many-body bases. Provides a good foundation for writing custom exact diagonalization and variational Monte Carlo software

License: BSD 3-Clause "New" or "Revised" License

C++ 4.07% Python 7.30% Shell 0.20% C 6.88% Makefile 3.61% Haskell 34.72% Chapel 31.06% Nix 2.59% Gnuplot 9.58%
lattice-symmetries symmetries symmetry-groups c cpp17 quantum-mechanics many-body-physics exact-diagonalization permutation bit-manipulation

lattice-symmetries's Introduction

⚠️ INFO

This is a Haskell rewrite of the original lattice-symmetries. At some point, this package will completely replace the first version of lattice-symmetries.

lattice-symmetries Build

License

A package to simplify working with symmetry-adapted quantum many-body bases.

Hamiltonians

Spins

$$ \mathbf{S}_i \cdot \mathbf{S}_j = \frac{1}{4} \left( \sigma^x_i \sigma^x_j + \sigma^y_i \sigma^y_j + \sigma^z_i \sigma^z_j \right) $$

$$ \sigma^{+}_i \sigma^{-}_j $$

MathsCode

$$ \mathbf{S}_i \cdot \mathbf{S}_j = S^x_i S^x_j + S^y_i S^y_j + S^z_i S^z_j $$

"Sˣ₀ Sˣ₁ + Sʸ₀ Sʸ₁ + Sᶻ₀ Sᶻ₁" or "Sx0 Sx0 + Sy1 Sy1 + Sz0 Sz1"

"0.25 (σˣ₀ σˣ₁ + σʸ₀ σʸ₁ + σᶻ₀ σᶻ₁)"

"σ⁺₀ σ⁻₁" or "\sigma^+_0 \sigma^-_1" or "\sigma+0 \sigma-1"

Electrons

Maths Code

$$ c^\dagger_{i\uparrow}c_{j\uparrow} + c^\dagger_{i\downarrow}c_{j\downarrow} $$

"c†₀↑ c₁↑ + c†₀↓ c₁↓"

$$ n_{i\uparrow} n_{i\downarrow} $$

"n₀↑ n₀↓" or "n0up n0down"

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lattice-symmetries's Issues

generic/portable support for non-x86 systems

I am reviewing openjournals/joss-reviews#3537 and was unable to test on my Apple M1 (my machine is not setup to compiler for x86 even if Rosetta2 supports executing such binaries).

I see that the code has support for all the x86 SIMD instruction sets via Agner Fog's library, but there does not appear to be a generic scalar implementation that would allow the code to be used on any platform with a ISO C++ compiler.

If it was completely obvious to me, I would contribute this feature but I do not think I am qualified to unwind this dependency and implement generic platform support.

Need a description for the python installation

I tried python install for some branches and tags.
Master branch failed with
FileNotFoundError: [Errno 2] No such file or directory: 'lattice_symmetries/extracted_declarations.h'
I found some points where the build succeed but does not support lattice_symmetries.Symmetries class. How can I use this package in python?

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