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
DirectSupercelllets 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
snapshotfunction
- 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)
Total release size: 38.1 MB
Release files / pyspinw-1.1.0b1-cp314-cp314t-win_amd64.whl
| Download URL | pyspinw-1.1.0b1-cp314-cp314t-win_amd64.whl |
|---|---|
| Size | 1.4 MB |
| Tags | CPython 3.14 CPython 3.14 free-threading Windows x86-64 |
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Release files / pyspinw-1.1.0b1-cp314-cp314t-musllinux_1_2_x86_64.whl
| Download URL | pyspinw-1.1.0b1-cp314-cp314t-musllinux_1_2_x86_64.whl |
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| Size | 1.8 MB |
| Tags | CPython 3.14 CPython 3.14 free-threading Linux musl 1.2+ x86-64 |
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Release files / pyspinw-1.1.0b1-cp314-cp314t-manylinux_2_28_x86_64.whl
| Download URL | pyspinw-1.1.0b1-cp314-cp314t-manylinux_2_28_x86_64.whl |
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| Size | 1.7 MB |
| Tags | CPython 3.14 CPython 3.14 free-threading Linux glibc 2.28+ x86-64 |
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Release files / pyspinw-1.1.0b1-cp314-cp314t-macosx_11_0_arm64.whl
| Download URL | pyspinw-1.1.0b1-cp314-cp314t-macosx_11_0_arm64.whl |
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| Size | 1.1 MB |
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Release files / pyspinw-1.1.0b1-cp314-cp314t-macosx_10_15_x86_64.whl
| Download URL | pyspinw-1.1.0b1-cp314-cp314t-macosx_10_15_x86_64.whl |
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| Size | 1.5 MB |
| Tags | CPython 3.14 CPython 3.14 free-threading macOS 10.15+ x86-64 |
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Release files / pyspinw-1.1.0b1-cp314-cp314-win_amd64.whl
| Download URL | pyspinw-1.1.0b1-cp314-cp314-win_amd64.whl |
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| Size | 1.4 MB |
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Release files / pyspinw-1.1.0b1-cp314-cp314-musllinux_1_2_x86_64.whl
| Download URL | pyspinw-1.1.0b1-cp314-cp314-musllinux_1_2_x86_64.whl |
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| Size | 1.8 MB |
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Release files / pyspinw-1.1.0b1-cp314-cp314-manylinux_2_28_x86_64.whl
| Download URL | pyspinw-1.1.0b1-cp314-cp314-manylinux_2_28_x86_64.whl |
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Release files / pyspinw-1.1.0b1-cp314-cp314-macosx_11_0_arm64.whl
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Release files / pyspinw-1.1.0b1-cp314-cp314-macosx_10_15_x86_64.whl
| Download URL | pyspinw-1.1.0b1-cp314-cp314-macosx_10_15_x86_64.whl |
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Release files / pyspinw-1.1.0b1-cp313-cp313-win_amd64.whl
| Download URL | pyspinw-1.1.0b1-cp313-cp313-win_amd64.whl |
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Release files / pyspinw-1.1.0b1-cp313-cp313-musllinux_1_2_x86_64.whl
| Download URL | pyspinw-1.1.0b1-cp313-cp313-musllinux_1_2_x86_64.whl |
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Release files / pyspinw-1.1.0b1-cp313-cp313-manylinux_2_28_x86_64.whl
| Download URL | pyspinw-1.1.0b1-cp313-cp313-manylinux_2_28_x86_64.whl |
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Release files / pyspinw-1.1.0b1-cp313-cp313-macosx_11_0_arm64.whl
| Download URL | pyspinw-1.1.0b1-cp313-cp313-macosx_11_0_arm64.whl |
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Release files / pyspinw-1.1.0b1-cp313-cp313-macosx_10_13_x86_64.whl
| Download URL | pyspinw-1.1.0b1-cp313-cp313-macosx_10_13_x86_64.whl |
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Release files / pyspinw-1.1.0b1-cp312-cp312-win_amd64.whl
| Download URL | pyspinw-1.1.0b1-cp312-cp312-win_amd64.whl |
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Release files / pyspinw-1.1.0b1-cp312-cp312-musllinux_1_2_x86_64.whl
| Download URL | pyspinw-1.1.0b1-cp312-cp312-musllinux_1_2_x86_64.whl |
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Release files / pyspinw-1.1.0b1-cp312-cp312-manylinux_2_28_x86_64.whl
| Download URL | pyspinw-1.1.0b1-cp312-cp312-manylinux_2_28_x86_64.whl |
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Release files / pyspinw-1.1.0b1-cp312-cp312-macosx_11_0_arm64.whl
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Release files / pyspinw-1.1.0b1-cp312-cp312-macosx_10_13_x86_64.whl
| Download URL | pyspinw-1.1.0b1-cp312-cp312-macosx_10_13_x86_64.whl |
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| Download URL | pyspinw-1.1.0b1-cp311-cp311-musllinux_1_2_x86_64.whl |
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| Download URL | pyspinw-1.1.0b1-cp311-cp311-manylinux_2_28_x86_64.whl |
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Security for pyspinw 1.1.0b1
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