Ecosyste.ms: Issues

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

GitHub / abinit/abipy issues and pull requests

#312 - Instructions for offline install in README and docs

Pull Request - State: closed - Opened by TeetotalingTom 11 days ago - 1 comment

#311 - sync with abipy/develop

Pull Request - State: closed - Opened by ezhique 13 days ago - 1 comment

#310 - Bqnu plotting modifications

Pull Request - State: closed - Opened by ezhique 13 days ago

#309 - Modifications to the plot_ank_with_edos method

Pull Request - State: closed - Opened by ezhique 16 days ago - 1 comment

#308 - Fixes + new plotting functions

Pull Request - State: closed - Opened by jbouquiaux 21 days ago - 1 comment

#307 - Unit of loading Potentialfield

Pull Request - State: closed - Opened by TeetotalingTom about 2 months ago - 2 comments

#306 - scripts for ZSISA-QHA

Pull Request - State: closed - Opened by samarerstm 2 months ago

#305 - More digits for ABINIT paths with abistruct.py

Pull Request - State: closed - Opened by TeetotalingTom 2 months ago - 1 comment

#304 - Improve slightly the examples of LumiWorks. Also fix typos.

Pull Request - State: closed - Opened by gonzex 3 months ago

#303 - Fix dead link and add resource to docs/workflows/taskmanager.rst

Pull Request - State: closed - Opened by cyr1l0u 4 months ago - 1 comment

#301 - Test factories ddkpert, ddepert, dtepert

Pull Request - State: closed - Opened by VicTrqt 4 months ago - 1 comment

#300 - small modification for QHA

Pull Request - State: closed - Opened by samarerstm 4 months ago

#299 - Revert "Some modification and new files for QHA"

Pull Request - State: closed - Opened by gmatteo 4 months ago

#298 - New factories for atomate2 WFs

Pull Request - State: closed - Opened by VicTrqt 4 months ago

#297 - Added ionmov=22 to the list of valid ionmov values

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

#296 - Phonon angular mometum + PhononWork:prepgkk option

Pull Request - State: closed - Opened by MaxMignolet 5 months ago - 1 comment

#295 - keyword argument 'kw_only'

Issue - State: open - Opened by yuchen230 5 months ago - 1 comment

#294 - Some modification and new files for QHA

Pull Request - State: closed - Opened by samarerstm 6 months ago

#293 - Memory units

Pull Request - State: closed - Opened by gbrunin 7 months ago

#292 - Replace pkg_resources with packaging

Pull Request - State: closed - Opened by GkAntonius 7 months ago - 1 comment

#291 - phonon resolved luminescent Lineshape

Pull Request - State: closed - Opened by jbouquiaux 9 months ago - 1 comment

#290 - Monty type error

Issue - State: open - Opened by TraceBivens 9 months ago

#289 - Bump pymatgen from 2023.7.17 to 2024.2.20

Pull Request - State: closed - Opened by dependabot[bot] 11 months ago - 1 comment
Labels: dependencies

#288 - Compatibility with pymatgen

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

#287 - Import optimisation

Pull Request - State: closed - Opened by SurgeArrester about 1 year ago - 1 comment

#286 - Add import pytest in some files in integration_tests

Pull Request - State: closed - Opened by jmbeuken about 1 year ago

#285 - Skip some tests in integration_tests

Pull Request - State: closed - Opened by jmbeuken about 1 year ago

#284 - Backwards compatibility for deprecated pymatgen.core.units.Memory.from_string

Pull Request - State: closed - Opened by SurgeArrester about 1 year ago - 1 comment

#283 - Various fixes and modifs for atomate2 development

Pull Request - State: closed - Opened by VicTrqt about 1 year ago - 1 comment

#282 - Embedding ifc

Pull Request - State: closed - Opened by jbouquiaux about 1 year ago - 1 comment

#281 - EventReport.stat file not found error handling

Pull Request - State: closed - Opened by gbrunin about 1 year ago - 1 comment

#280 - LRUJ plot

Pull Request - State: closed - Opened by lmacenul about 1 year ago - 1 comment

#278 - Abiypy electron ebands.py part problem

Issue - State: open - Opened by Sushiki-suda about 1 year ago

#277 - Removed bugs in `abipy.panels.core.ply()` function

Pull Request - State: closed - Opened by SurgeArrester about 1 year ago - 1 comment

#276 - Fix for plot functions in eph/rta.py

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

#275 - Delay imports of `Poscar` and `Chgcar` of `pymatgen.io.vasp.outputs`

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

#274 - module 'pymatgen.io.abinit.netcdf' has no attribute 'ETSF_Reader'

Issue - State: open - Opened by abdelghany0 over 1 year ago - 3 comments

#273 - Lumi work delta scf

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

#272 - testing new algorithm + testing some changes

Pull Request - State: closed - Opened by arsalan-akhtar over 1 year ago

#271 - fix conversion from pmg phonon bs

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

#270 - fix qha

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

#269 - Reintroduce Python 3.8 support

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

#268 - Reintroduce support for Python 3.8?

Issue - State: closed - Opened by mbercx over 1 year ago

#267 - Fix `AbinitTimerParseError` import

Pull Request - State: closed - Opened by mbercx over 1 year ago - 7 comments

#266 - Import from `typing` instead `pymatgen.util.typing`

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

#265 - 🐛 `NameError`: name 'TYPE_CHECKING' is not defined

Issue - State: closed - Opened by mbercx over 1 year ago

#264 - Replace `monty.os.path.which` with `shutil.which`

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

#263 - `which` has been removed from `monty.os.path`

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

#262 - ImportError when using abicheck.py with abipy and pymatgen

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

#261 - pinning the pymatgen version?

Issue - State: closed - Opened by unkcpz over 1 year ago - 3 comments

#259 - NLCoefFlow

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

#258 - Incompatible with recent `pymatgen`

Issue - State: open - Opened by sphuber about 2 years ago - 5 comments

#257 - Incompatible with `numpy>=1.24.0`

Issue - State: open - Opened by sphuber about 2 years ago

#256 - add option to convert from phonopy yaml file to ddb

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

#255 - Private reporting of a potential security vulnerability

Issue - State: closed - Opened by Sim4n6 about 2 years ago - 1 comment

#254 - error in import abilib

Issue - State: open - Opened by rajeshatiitm over 2 years ago - 7 comments

#253 - Fix SlotPickleMixin import error

Pull Request - State: closed - Opened by BertJorissen over 2 years ago - 1 comment

#252 - python3.6.2 package not found error

Issue - State: open - Opened by Charxil over 2 years ago

#251 - Erroneous energy conversion?

Issue - State: open - Opened by m-schwendt over 2 years ago

#250 - Added get_differences method for AbinitInputFile objects.

Pull Request - State: closed - Opened by davidwaroquiers over 2 years ago - 1 comment

#249 - Gw factory functions

Pull Request - State: closed - Opened by davidwaroquiers over 2 years ago

#248 - refactor nscf factories

Pull Request - State: closed - Opened by gpetretto over 2 years ago - 1 comment

#247 - Ion ioncell relax input refactoring

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

#246 - Update of ion_ioncell_relax_input unit test

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

#245 - Schedular error

Issue - State: open - Opened by Bloop10 over 2 years ago

#244 - pytmatgen structure not abipy?

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

#243 - Simplify the e-ph plotting script

Pull Request - State: closed - Opened by gbrunin almost 3 years ago

#242 - Advanced script for plotting e-ph mobility results

Pull Request - State: closed - Opened by gbrunin almost 3 years ago - 1 comment

#241 - automatic input generation without files file

Pull Request - State: closed - Opened by gpetretto almost 3 years ago - 1 comment

#240 - Some NLO stuff

Pull Request - State: closed - Opened by gbrunin almost 3 years ago - 1 comment

#239 - abistruct.py for eBAND

Issue - State: closed - Opened by namelessenko over 3 years ago - 8 comments

#238 - bugfix

Pull Request - State: closed - Opened by gpetretto over 3 years ago

#237 - Possible bug in abipy.dfpt.converters

Issue - State: closed - Opened by akentphonon over 3 years ago - 1 comment

#236 - PhononWork -> generating too many DFPT calculations

Issue - State: open - Opened by cpashartis over 3 years ago - 5 comments

#234 - Plotly functions for ElectronDosPlotter and PhononDosPlotter

Pull Request - State: closed - Opened by heniar over 3 years ago - 1 comment

#233 - Why abistruct.py generate cell with acell 1.0 1.0 1.0?

Issue - State: closed - Opened by namelessenko over 3 years ago - 2 comments

#232 - ElectronBands.from_mpid fails with spin-polarized system

Issue - State: closed - Opened by savya10 over 3 years ago - 2 comments

#231 - Small update on eph mobility

Pull Request - State: closed - Opened by gbrunin over 3 years ago - 1 comment

#229 - combiplotly and gridplotly for ElectronBands plotter

Pull Request - State: closed - Opened by heniar over 3 years ago - 1 comment

#228 - plotly for FatBandsFile

Pull Request - State: closed - Opened by heniar over 3 years ago - 1 comment

#227 - Cumulant expansion post-processing

Pull Request - State: closed - Opened by joaocarloscabreu over 3 years ago - 1 comment

#226 - Cumulant expansion

Pull Request - State: closed - Opened by joaocarloscabreu over 3 years ago - 1 comment

#225 - add HistFile.plotly and PhononBands.plotly_fatbands

Pull Request - State: closed - Opened by heniar over 3 years ago - 1 comment

#224 - Generate Phonopy object along with phonon band structure

Pull Request - State: closed - Opened by gpetretto over 3 years ago - 1 comment

#223 - Problems with newer versions of pymatgen

Issue - State: closed - Opened by TheIdealis over 3 years ago - 2 comments

#222 - plotly for ElectronDos and eband.plotly_with_edos

Pull Request - State: closed - Opened by heniar over 3 years ago - 1 comment

#221 - Added workflow for e-ph computations of the mobility in semiconductors

Pull Request - State: closed - Opened by gbrunin almost 4 years ago

#220 - add SoundVelocity.plotly and DielectricTensorGenerator.plotly

Pull Request - State: closed - Opened by heniar almost 4 years ago - 1 comment

#219 - add phdos.plotly_pjdos_type and eband.plotly

Pull Request - State: closed - Opened by heniar almost 4 years ago

#218 - Where can i find WFK.nc?

Issue - State: closed - Opened by ghost almost 4 years ago - 2 comments

#217 - ValueError: Kpoint weights should sum up to one while sum_weights is 0.000

Issue - State: closed - Opened by ghost almost 4 years ago - 1 comment

#216 - Hotfix : @Structure Dependency

Pull Request - State: closed - Opened by Olivier7017 almost 4 years ago - 2 comments

#215 - Add PhononBandsPlotter.combiplotly

Pull Request - State: closed - Opened by heniar almost 4 years ago - 1 comment

#214 - Add plotly version plot functions

Pull Request - State: closed - Opened by heniar almost 4 years ago

#213 - Add ploty version plot functions

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