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Pre-release

This release is a pre-release and may not be stable for production use.

pySpinW is a tool for calculating magnon energies and simulating scattering experiments

Details of its use can be found at www.spinw.org/pyspinw

Example

Here is an example of calculating dispersion curves for simple ferromagnetic chain in python:

from pyspinw import *

# Define the unit cell
unit_cell = UnitCell(1, 1, 1)

# Specify a magetic atom at (0,0,0), with moment (0,0,1)
x = Site(0, 0, 0, 0, 0, 1, name="X")

# Create a magnetic structure (this could include a spacegroup, or 
# supercell structure, but we don't do so here)
structure = Structure([x], unit_cell=unit_cell)

# A single exchange between atoms in neighbouring unit cells (in the x direction)
exchanges = [HeisenbergExchange(x, x, cell_offset=(1, 0, 0), j=-1)]

# Create a Hamiltonian object that holds things together 
hamiltonian = Hamiltonian(structure, exchanges)

# Define a path through q-space for out dispersion curve
path = Path([[0, 0, 0], [1, 0, 0]])

# Show the spaghetti plot, with constant energy smearing of 0.4
hamiltonian.spaghetti_plot(path, dE=0.4)

New in V1.1

In going from 1.0 to 1.1 we've made a lot of improvements. There have been a number of name changes, most importantly, changing LatticeSite to Site. This will likely affect quite a lot of existing scripts, but we considered it's best to make this change as early as possible, to minimise its impact.

Here's a summary of the main changes:

  • Tools for navigating an updating an existing crystal structure:
    • Get sites by name and/or element
    • Nearest neighbour searches
    • Finding by symmetry relations
  • A symmetry based workflow:
    • Report symmetry constraints
    • Check validity of exchanges/anisotropies
    • Copy exchanges/anisotropies using symmetry
  • Metadata for sites: color, element, radius
  • DirectSupercell lets you specify spins in different cells independently
  • Updates to the viewer
    • Fixes for macOS
    • Lots more settings
    • Rendering improvements
    • Multiple copies of the viewer can run at the same time
    • Non-interactive snapshot function
  • Improvements to
  • Loading and saving: CIF, TB2J, pyspinw native format (.spw), mCIF (currently limited support)
  • A new website, with new tutorials
  • Various performance improvements
  • Bugfixes:
    • Fixed an error that affected some spinwave calculations involving DM interactions
    • Viewer bug fixes

Metadata

Release files for pyspinw 1.1.0b1

For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.

Built distributions (wheels)

Table of built distributions (wheels) for pyspinw 1.1.0b1
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pyspinw-1.1.0b1-cp314-cp314t-win_amd64.whl CPython 3.14 CPython 3.14 free-threading Windows x86-64 Details for pyspinw-1.1.0b1-cp314-cp314t-win_amd64.whl
pyspinw-1.1.0b1-cp314-cp314t-musllinux_1_2_x86_64.whl CPython 3.14 CPython 3.14 free-threading Linux musl 1.2+ x86-64 Details for pyspinw-1.1.0b1-cp314-cp314t-musllinux_1_2_x86_64.whl
pyspinw-1.1.0b1-cp314-cp314t-manylinux_2_28_x86_64.whl CPython 3.14 CPython 3.14 free-threading Linux glibc 2.28+ x86-64 Details for pyspinw-1.1.0b1-cp314-cp314t-manylinux_2_28_x86_64.whl
pyspinw-1.1.0b1-cp314-cp314t-macosx_11_0_arm64.whl CPython 3.14 CPython 3.14 free-threading macOS 11.0+ ARM64 Details for pyspinw-1.1.0b1-cp314-cp314t-macosx_11_0_arm64.whl
pyspinw-1.1.0b1-cp314-cp314t-macosx_10_15_x86_64.whl CPython 3.14 CPython 3.14 free-threading macOS 10.15+ x86-64 Details for pyspinw-1.1.0b1-cp314-cp314t-macosx_10_15_x86_64.whl
pyspinw-1.1.0b1-cp314-cp314-win_amd64.whl CPython 3.14 CPython 3.14 Windows x86-64 Details for pyspinw-1.1.0b1-cp314-cp314-win_amd64.whl
pyspinw-1.1.0b1-cp314-cp314-musllinux_1_2_x86_64.whl CPython 3.14 CPython 3.14 Linux musl 1.2+ x86-64 Details for pyspinw-1.1.0b1-cp314-cp314-musllinux_1_2_x86_64.whl
pyspinw-1.1.0b1-cp314-cp314-manylinux_2_28_x86_64.whl CPython 3.14 CPython 3.14 Linux glibc 2.28+ x86-64 Details for pyspinw-1.1.0b1-cp314-cp314-manylinux_2_28_x86_64.whl
pyspinw-1.1.0b1-cp314-cp314-macosx_11_0_arm64.whl CPython 3.14 CPython 3.14 macOS 11.0+ ARM64 Details for pyspinw-1.1.0b1-cp314-cp314-macosx_11_0_arm64.whl
pyspinw-1.1.0b1-cp314-cp314-macosx_10_15_x86_64.whl CPython 3.14 CPython 3.14 macOS 10.15+ x86-64 Details for pyspinw-1.1.0b1-cp314-cp314-macosx_10_15_x86_64.whl
pyspinw-1.1.0b1-cp313-cp313-win_amd64.whl CPython 3.13 CPython 3.13 Windows x86-64 Details for pyspinw-1.1.0b1-cp313-cp313-win_amd64.whl
pyspinw-1.1.0b1-cp313-cp313-musllinux_1_2_x86_64.whl CPython 3.13 CPython 3.13 Linux musl 1.2+ x86-64 Details for pyspinw-1.1.0b1-cp313-cp313-musllinux_1_2_x86_64.whl
pyspinw-1.1.0b1-cp313-cp313-manylinux_2_28_x86_64.whl CPython 3.13 CPython 3.13 Linux glibc 2.28+ x86-64 Details for pyspinw-1.1.0b1-cp313-cp313-manylinux_2_28_x86_64.whl
pyspinw-1.1.0b1-cp313-cp313-macosx_11_0_arm64.whl CPython 3.13 CPython 3.13 macOS 11.0+ ARM64 Details for pyspinw-1.1.0b1-cp313-cp313-macosx_11_0_arm64.whl
pyspinw-1.1.0b1-cp313-cp313-macosx_10_13_x86_64.whl CPython 3.13 CPython 3.13 macOS 10.13+ x86-64 Details for pyspinw-1.1.0b1-cp313-cp313-macosx_10_13_x86_64.whl
pyspinw-1.1.0b1-cp312-cp312-win_amd64.whl CPython 3.12 CPython 3.12 Windows x86-64 Details for pyspinw-1.1.0b1-cp312-cp312-win_amd64.whl
pyspinw-1.1.0b1-cp312-cp312-musllinux_1_2_x86_64.whl CPython 3.12 CPython 3.12 Linux musl 1.2+ x86-64 Details for pyspinw-1.1.0b1-cp312-cp312-musllinux_1_2_x86_64.whl
pyspinw-1.1.0b1-cp312-cp312-manylinux_2_28_x86_64.whl CPython 3.12 CPython 3.12 Linux glibc 2.28+ x86-64 Details for pyspinw-1.1.0b1-cp312-cp312-manylinux_2_28_x86_64.whl
pyspinw-1.1.0b1-cp312-cp312-macosx_11_0_arm64.whl CPython 3.12 CPython 3.12 macOS 11.0+ ARM64 Details for pyspinw-1.1.0b1-cp312-cp312-macosx_11_0_arm64.whl
pyspinw-1.1.0b1-cp312-cp312-macosx_10_13_x86_64.whl CPython 3.12 CPython 3.12 macOS 10.13+ x86-64 Details for pyspinw-1.1.0b1-cp312-cp312-macosx_10_13_x86_64.whl
pyspinw-1.1.0b1-cp311-cp311-win_amd64.whl CPython 3.11 CPython 3.11 Windows x86-64 Details for pyspinw-1.1.0b1-cp311-cp311-win_amd64.whl
pyspinw-1.1.0b1-cp311-cp311-musllinux_1_2_x86_64.whl CPython 3.11 CPython 3.11 Linux musl 1.2+ x86-64 Details for pyspinw-1.1.0b1-cp311-cp311-musllinux_1_2_x86_64.whl
pyspinw-1.1.0b1-cp311-cp311-manylinux_2_28_x86_64.whl CPython 3.11 CPython 3.11 Linux glibc 2.28+ x86-64 Details for pyspinw-1.1.0b1-cp311-cp311-manylinux_2_28_x86_64.whl
pyspinw-1.1.0b1-cp311-cp311-macosx_11_0_arm64.whl CPython 3.11 CPython 3.11 macOS 11.0+ ARM64 Details for pyspinw-1.1.0b1-cp311-cp311-macosx_11_0_arm64.whl
pyspinw-1.1.0b1-cp311-cp311-macosx_10_12_x86_64.whl CPython 3.11 CPython 3.11 macOS 10.12+ x86-64 Details for pyspinw-1.1.0b1-cp311-cp311-macosx_10_12_x86_64.whl

Total release size: 38.1 MB

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Release files / pyspinw-1.1.0b1-cp311-cp311-win_amd64.whl

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