Ecosyste.ms: Issues

An open API service for providing issue and pull request metadata for open source projects.

GitHub / pace-neutrons/Euphonic issues and pull requests

#301 - plot_1d generates two identical plots in Jupyter notebooks

Issue - State: open - Opened by mducle 27 days ago - 2 comments

#299 - Write to phonon website JSON

Issue - State: open - Opened by ajjackson about 2 months ago
Labels: enhancement

#298 - Spglib 2.4 compatibility: handle TypeError when passing empty cell

Pull Request - State: closed - Opened by ajjackson 3 months ago - 3 comments
Labels: bug

#297 - spglib 2.4 compatibility

Issue - State: closed - Opened by ajjackson 3 months ago - 6 comments
Labels: bug, dependencies

#296 - Add error for old castep_bin files

Pull Request - State: closed - Opened by mducle 3 months ago - 10 comments
Labels: bug

#295 - Cannot read Castep 16.11 bin file

Issue - State: closed - Opened by mducle 3 months ago - 2 comments
Labels: bug

#293 - Bugfix: load QpointPhononModes with one q-point from JSON

Pull Request - State: closed - Opened by ajjackson 5 months ago - 2 comments

#292 - Cannot load QpointPhononModes JSON with only one q-point

Issue - State: closed - Opened by ajjackson 5 months ago
Labels: bug

#291 - Coherent scattering from Mantid algorithms

Issue - State: closed - Opened by ajjackson 5 months ago - 1 comment

#290 - Update versioneer

Pull Request - State: closed - Opened by ajjackson 6 months ago - 2 comments

#289 - Consider making Crystal.cell_volume() a @property

Issue - State: open - Opened by ajjackson 10 months ago

#288 - Clean up a bit using new dependencies

Pull Request - State: closed - Opened by ajjackson 10 months ago - 6 comments

#287 - Drop deprecated pkg_resources

Pull Request - State: closed - Opened by ajjackson 10 months ago - 8 comments

#286 - Try to get tox working on a newer Python version

Pull Request - State: closed - Opened by ajjackson 10 months ago - 4 comments

#285 - Implement spectrum copy(), *, *= methods, `--scale` command-line option

Pull Request - State: closed - Opened by ajjackson 10 months ago - 4 comments

#284 - Drop python 3.7 support, bump Scipy, Pint, h5py requirements

Pull Request - State: closed - Opened by ajjackson 10 months ago - 5 comments

#283 - Make animations of phonon displacement patterns

Pull Request - State: open - Opened by mstekiel 11 months ago - 4 comments

#282 - Drop legacy cubic error/width parametrisation: Euphonic v2

Issue - State: open - Opened by ajjackson 12 months ago
Labels: breaking

#281 - Bump scipy from 1.1.0 to 1.10.0 in /tests_and_analysis

Pull Request - State: closed - Opened by dependabot[bot] 12 months ago - 2 comments
Labels: dependencies

#280 - Address Numpy 1.25 deprecation warning

Pull Request - State: closed - Opened by ajjackson about 1 year ago - 2 comments

#279 - Support newer Phonopy yaml versions

Pull Request - State: closed - Opened by ajjackson about 1 year ago - 5 comments

#278 - Increase Python requirement to 3.8

Issue - State: closed - Opened by ajjackson about 1 year ago - 3 comments

#277 - Critically slow loop in _dipole_correction_init

Issue - State: open - Opened by tyst3273 about 1 year ago - 5 comments

#276 - Born charge / dielectric data keywords missed from some phonopy.yaml

Issue - State: closed - Opened by ajjackson about 1 year ago - 2 comments
Labels: bug

#275 - Add "prefer_no_loto" option to CASTEP .phonon reader

Pull Request - State: closed - Opened by ajjackson about 1 year ago - 5 comments

#274 - Tech debt: doc builds requires extension requires numpy

Issue - State: open - Opened by mducle about 1 year ago

#272 - Recommend pre-installing Numpy

Issue - State: open - Opened by ajjackson about 1 year ago

#271 - Fix Py_None increment bug #270

Pull Request - State: closed - Opened by mducle about 1 year ago - 4 comments

#270 - Missing Py_INCREF(Py_None) in the C extension

Issue - State: closed - Opened by i-loa about 1 year ago

#269 - Automatically determine Q range when using kinematic constraints with euphonic-powder-map

Issue - State: open - Opened by ajjackson over 1 year ago - 1 comment
Labels: nice to have

#268 - A partial DOS

Issue - State: closed - Opened by HoloHolo-phys over 1 year ago - 4 comments

#267 - More permissive masking for kinematic constraints

Pull Request - State: closed - Opened by ajjackson over 1 year ago - 8 comments

#266 - Conversion from phonon modes to force constants

Issue - State: open - Opened by ajjackson over 1 year ago
Labels: enhancement

#265 - Allow 'color' to be passed to plot_1d

Pull Request - State: closed - Opened by rebeccafair over 1 year ago - 1 comment

#263 - Add How-to Guide

Pull Request - State: closed - Opened by rebeccafair over 1 year ago - 2 comments

#262 - Remove author from setup.py

Pull Request - State: closed - Opened by rebeccafair over 1 year ago - 2 comments

#261 - Don't test Py 3.7 release for Conda

Pull Request - State: closed - Opened by rebeccafair over 1 year ago - 1 comment

#260 - 258 conda min

Pull Request - State: closed - Opened by rebeccafair over 1 year ago - 3 comments

#259 - Add paper citation to docs

Pull Request - State: closed - Opened by rebeccafair over 1 year ago - 5 comments

#258 - Release test - minimum package versions for Conda

Issue - State: closed - Opened by rebeccafair over 1 year ago - 1 comment

#257 - Test on MacOS 12

Pull Request - State: closed - Opened by rebeccafair over 1 year ago - 2 comments

#256 - Support MacOS 12

Issue - State: closed - Opened by rebeccafair over 1 year ago - 1 comment

#255 - Clean up Codacy outputs: accept single-character variables

Issue - State: open - Opened by ajjackson over 1 year ago - 1 comment

#254 - Add Sphinx doctests

Pull Request - State: closed - Opened by rebeccafair over 1 year ago - 10 comments

#253 - Ugly RuntimeWarning in bose_factor

Issue - State: open - Opened by rebeccafair over 1 year ago
Labels: good first issue

#252 - Update actions versions (Node.js 12 deprecation)

Pull Request - State: closed - Opened by rebeccafair over 1 year ago - 3 comments

#251 - Test/release on Python 3.11

Pull Request - State: closed - Opened by rebeccafair over 1 year ago - 3 comments

#250 - Adaptive broadening API tweaks: Euphonic v3

Issue - State: open - Opened by ajjackson over 1 year ago
Labels: breaking

#249 - Adaptive broadening API tweaks: Euphonic v2

Issue - State: open - Opened by ajjackson over 1 year ago
Labels: breaking

#248 - Test on Python 3.11

Issue - State: closed - Opened by rebeccafair over 1 year ago - 1 comment

#247 - Consider bumping Numpy/Pint for cleaner function calls

Issue - State: open - Opened by ajjackson over 1 year ago - 1 comment

#246 - Remove packaging imports

Pull Request - State: closed - Opened by rebeccafair over 1 year ago - 2 comments

#245 - Instrumental resolution broadening

Pull Request - State: closed - Opened by ajjackson over 1 year ago - 45 comments

#244 - Gamma points and DOS calculations

Issue - State: open - Opened by ajjackson over 1 year ago - 2 comments
Labels: good first issue

#243 - Work around different tick labels with mpl 3.6.0

Pull Request - State: closed - Opened by rebeccafair almost 2 years ago - 5 comments

#242 - Add workaround for segfault with openblas

Pull Request - State: closed - Opened by rebeccafair almost 2 years ago - 4 comments

#241 - Fix phonopy dipole read

Pull Request - State: closed - Opened by rebeccafair almost 2 years ago - 8 comments

#240 - Feature request: phonon linewidths

Issue - State: open - Opened by ajjackson almost 2 years ago

#239 - Incorrect dipole correction with Phonopy

Issue - State: closed - Opened by rebeccafair almost 2 years ago - 1 comment
Labels: bug

#238 - General cleanup

Pull Request - State: closed - Opened by rebeccafair almost 2 years ago - 3 comments

#237 - Drop Python 3.6 support

Pull Request - State: closed - Opened by rebeccafair almost 2 years ago - 7 comments

#236 - Change default average_repeat_points to True

Pull Request - State: closed - Opened by rebeccafair almost 2 years ago - 1 comment

#235 - Sphinx doctests

Issue - State: closed - Opened by rebeccafair almost 2 years ago - 1 comment

#234 - Documentation: How-to Guide

Issue - State: closed - Opened by rebeccafair almost 2 years ago - 2 comments

#233 - Change default average_repeat_points to True

Issue - State: closed - Opened by rebeccafair almost 2 years ago - 1 comment
Labels: breaking

#232 - Remove Python 3.6 support

Issue - State: closed - Opened by rebeccafair almost 2 years ago - 1 comment
Labels: breaking

#231 - Merge v1.0 release branch into master

Pull Request - State: closed - Opened by rebeccafair almost 2 years ago - 4 comments

#230 - Merge master into v1.0 release branch

Pull Request - State: closed - Opened by rebeccafair almost 2 years ago - 2 comments

#229 - Fix PyPI wheel builds

Pull Request - State: closed - Opened by rebeccafair almost 2 years ago - 4 comments

#228 - Update Python test/release versions

Pull Request - State: closed - Opened by rebeccafair almost 2 years ago - 2 comments

#227 - Improve q-point labelling behaviour

Issue - State: open - Opened by rebeccafair almost 2 years ago
Labels: bug

#226 - Install llvm on mac

Pull Request - State: closed - Opened by rebeccafair almost 2 years ago - 1 comment

#225 - Bump numpy from 1.12.1 to 1.22.0 in /tests_and_analysis

Pull Request - State: closed - Opened by dependabot[bot] about 2 years ago - 4 comments
Labels: dependencies

#224 - Phonopy BORN files; handling of equivalent atoms

Issue - State: open - Opened by ajjackson about 2 years ago
Labels: bug, good first issue

#223 - Calculate DOS per atom

Pull Request - State: closed - Opened by rebeccafair about 2 years ago - 1 comment

#222 - Normalise DOS per-atom

Issue - State: closed - Opened by rebeccafair about 2 years ago - 1 comment
Labels: breaking

#221 - Castep .phonon import: allow repeat points to be averaged

Pull Request - State: closed - Opened by ajjackson about 2 years ago - 9 comments

#220 - Small doc updates

Pull Request - State: closed - Opened by rebeccafair about 2 years ago - 4 comments
Labels: no_ci

#219 - Arbitrary scale factors

Issue - State: closed - Opened by ajjackson about 2 years ago - 3 comments
Labels: good first issue

#218 - Detect repeated q-points in band-structure data

Pull Request - State: closed - Opened by ajjackson about 2 years ago - 6 comments
Labels: run_ci

#217 - Add CL tool option to label high-symmetry points with tuples

Issue - State: open - Opened by rebeccafair about 2 years ago - 1 comment
Labels: good first issue

#216 - Improve handling of CASTEP .phonon data with LO-TO splitting

Issue - State: closed - Opened by ajjackson about 2 years ago - 1 comment

#215 - Improve force constants docs

Pull Request - State: closed - Opened by rebeccafair about 2 years ago - 2 comments

#214 - Improve efficiency of powder averaging

Issue - State: open - Opened by ajjackson about 2 years ago - 2 comments

#213 - Remove deprecations before 1.0

Pull Request - State: closed - Opened by rebeccafair over 2 years ago - 6 comments

#212 - Remove deprecations before 1.0

Issue - State: closed - Opened by rebeccafair over 2 years ago - 1 comment
Labels: breaking

#211 - Allow read of Phonopy 'au' units

Pull Request - State: closed - Opened by rebeccafair over 2 years ago - 7 comments

#210 - Problem reading Phonopy with 'au' units

Issue - State: closed - Opened by rebeccafair over 2 years ago - 1 comment

#209 - Bump numpy from 1.12.1 to 1.21.0 in /tests_and_analysis

Pull Request - State: closed - Opened by dependabot[bot] over 2 years ago - 3 comments
Labels: dependencies

#208 - Improve Force Constants docs and API

Issue - State: closed - Opened by rebeccafair over 2 years ago - 1 comment

#207 - 206 Brille sampling tool

Pull Request - State: closed - Opened by ajjackson over 2 years ago - 3 comments

#206 - Error estimation for Brille interpolation

Issue - State: closed - Opened by ajjackson over 2 years ago - 1 comment

#205 - Enable saving as JSON from CL tools

Pull Request - State: closed - Opened by rebeccafair over 2 years ago - 11 comments

#204 - Kinematic constraints for powder maps

Pull Request - State: closed - Opened by ajjackson over 2 years ago - 12 comments
Labels: run_ci

#203 - 201 uneven bin widths

Pull Request - State: closed - Opened by rebeccafair over 2 years ago - 5 comments

#202 - Missing symmetry labels from Phonopy band structures

Issue - State: closed - Opened by ajjackson over 2 years ago
Labels: bug