pace-neutrons Euphonic issues

pace-neutrons / Euphonic

Euphonic is a Python package for efficient simulation of phonon bandstructures, density of states and inelastic neutron scattering intensities from force constants.

GNU General Public License v3.0

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issues

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Allow "unsafe" (faster) Spectrum1DCollection.from_spectra()

#327 ajjackson opened 4 hours ago
4
Revising the release process

#326 ajjackson opened 3 days ago
3
Use logging/warnings instead of print when loading force constants from Phonopy

#325 RastislavTuranyi opened 1 week ago
0
[WIP] Pyproject toml

#324 oerc0122 opened 2 weeks ago
6
Overhaul configuration/build system

#323 ajjackson opened 2 weeks ago
0
run_tests workflow: use parallel tox

#322 ajjackson opened 3 weeks ago
12
Use pytest-xdist for all tests within tox

#321 ajjackson opened 3 weeks ago
6
Use caching to speed up CI

#320 ajjackson opened 3 weeks ago
3
Check if Seekpath reference cells are consistent

#319 ajjackson opened 1 month ago
0
Implement web JSON export

#318 ajjackson closed 3 weeks ago
8
Update CHANGELOG

#317 ajjackson closed 1 month ago
1
More internal support for Pathlib

#316 ajjackson opened 1 month ago
0
Refactor internal Spectrum construction syntax

#315 ajjackson opened 2 months ago
1
Update github action versions in test_release

#314 ajjackson closed 2 months ago
2
Code coverage improvements

#313 ajjackson opened 3 months ago
0
Fixing build/test failures

#312 ajjackson closed 3 months ago
4
Improve handling of spectral units

#311 ajjackson closed 3 months ago
4
Clean up some low-hanging warnings in test suite

#310 ajjackson closed 3 months ago
1
Bump numpy requirement to 1.24, matching Mantid

#309 ajjackson closed 3 months ago
2
CHANGELOG update

#308 ajjackson closed 4 months ago
0
Drop Python 3.8, 3.9 and add Python 3.12

#307 ajjackson closed 4 months ago
3
Create an action to push some ARM builds to PyPI

#306 ajjackson closed 3 months ago
2
Spectrum refactoring, Spectrum2DCollection

#305 ajjackson closed 1 month ago
2
Test Brille fix

#304 ajjackson closed 4 months ago
4
Flatten q-point indices for compatibility with Numpy 2.0

#303 ajjackson closed 4 months ago
4
discontinuities when using Lorentzian broadening

#302 davidvoneshen closed 4 months ago
4
plot_1d generates two identical plots in Jupyter notebooks

#301 mducle closed 5 months ago
2
Experimental verification of Debye-Waller factor calculation

#300 mducle opened 5 months ago
0
Write to phonon website JSON

#299 ajjackson closed 3 weeks ago
0
Spglib 2.4 compatibility: handle TypeError when passing empty cell

#298 ajjackson closed 7 months ago
3
spglib 2.4 compatibility

#297 ajjackson closed 7 months ago
6
Add error for old castep_bin files

#296 mducle closed 7 months ago
10
Cannot read Castep 16.11 bin file

#295 mducle closed 7 months ago
2
Forthcoming (release 25.1) changes to CASTEP checkpoint format require Euphonic update

#294 krefson opened 7 months ago
2
Bugfix: load QpointPhononModes with one q-point from JSON

#293 ajjackson closed 9 months ago
2
Cannot load QpointPhononModes JSON with only one q-point

#292 ajjackson closed 9 months ago
0
Coherent scattering from Mantid algorithms

#291 ajjackson closed 10 months ago
1
Update versioneer

#290 ajjackson closed 9 months ago
2
Consider making Crystal.cell_volume() a @property

#289 ajjackson opened 1 year ago
0
Clean up a bit using new dependencies

#288 ajjackson closed 1 year ago
6
Drop deprecated pkg_resources

#287 ajjackson closed 1 year ago
8
Try to get tox working on a newer Python version

#286 ajjackson closed 1 year ago
4
Implement spectrum copy(), *, *= methods, `--scale` command-line option

#285 ajjackson closed 1 year ago
4
Drop python 3.7 support, bump Scipy, Pint, h5py requirements

#284 ajjackson closed 1 year ago
5
Make animations of phonon displacement patterns

#283 mstekiel opened 1 year ago
4
Drop legacy cubic error/width parametrisation: Euphonic v2

#282 ajjackson opened 1 year ago
0
Bump scipy from 1.1.0 to 1.10.0 in /tests_and_analysis

#281 dependabot[bot] closed 1 year ago
2
Address Numpy 1.25 deprecation warning

#280 ajjackson closed 1 year ago
2
Support newer Phonopy yaml versions

#279 ajjackson closed 1 year ago
5
Increase Python requirement to 3.8

#278 ajjackson closed 1 year ago
3