abinit/abipy

Issues

• keyword argument 'kw_only'

  #295 opened 2 months ago by yuchen230
  1

• Monty type error

  #290 opened 6 months ago by TraceBivens
  0

• Compatibility with pymatgen

  #288 opened 9 months ago by Konjkov
  0

• Local manager does not limit the number of running tasks

  #279 opened a year ago by RaphaelRobidas
  0

• Abiypy electron ebands.py part problem

  #278 opened a year ago by Sushiki-suda
  0

• module 'pymatgen.io.abinit.netcdf' has no attribute 'ETSF_Reader'

  #274 opened a year ago by abdelghany0
  3

• Incompatible with recent `pymatgen`

  #258 opened 2 years ago by sphuber
  5

• ImportError when using abicheck.py with abipy and pymatgen

  #262 opened a year ago by emayMTK
  1

• 🐛 `NameError`: name 'TYPE_CHECKING' is not defined

  #265 opened a year ago by mbercx
  0

• Reintroduce support for Python 3.8?

  #268 opened a year ago by mbercx
  0

• pinning the pymatgen version?

  #261 opened a year ago by unkcpz
  3

• `which` has been removed from `monty.os.path`

  #263 opened a year ago by mbercx
  1

• pydantic 2.0: `BaseSettings` has been moved to the `pydantic-settings` package.

  #260 opened a year ago by marcodigennaro
  0

• Incompatible with `numpy>=1.24.0`

  #257 opened 2 years ago by sphuber
  0

• Private reporting of a potential security vulnerability

  #255 opened 2 years ago by Sim4n6
  1

• error in import abilib

  #254 opened 2 years ago by rajeshatiitm
  7

• python3.6.2 package not found error

  #252 opened 2 years ago by Charxil
  0

• Erroneous energy conversion?

  #251 opened 2 years ago by m-schwendt
  0

• Schedular error

  #245 opened 2 years ago by Bloop10
  0

• pytmatgen structure not abipy?

  #244 opened 3 years ago by jzwanzig
  1

• "NoneType object is not subscriptable" error when trying to plot a band structure

  #230 opened 3 years ago by RemiLacroix-IDRIS
  4

• abistruct.py for eBAND

  #239 opened 3 years ago by namelessenko
  8

• PhononWork -> generating too many DFPT calculations

  #236 opened 3 years ago by cpashartis
  5

• Possible bug in abipy.dfpt.converters

  #237 opened 3 years ago by akentphonon
  1

• PackagesNotFoundError: The following packages are not available from current channels:

  #235 opened 3 years ago by BilalHasan125
  3

• Why abistruct.py generate cell with acell 1.0 1.0 1.0?

  #233 opened 3 years ago by namelessenko
  2

• ElectronBands.from_mpid fails with spin-polarized system

  #232 opened 3 years ago by savya10
  2

• abinit: error while loading shared libraries: libnetcdf.so.15

  #196 opened 3 years ago by ylx1116
  1

• " abinp.py phonons " and ngkpt

  #176 opened 3 years ago by lcodacal
  2

• Problems with newer versions of pymatgen

  #223 opened 3 years ago by thomaslettau
  2

• Where can i find WFK.nc?

  #218 opened 4 years ago
  2

• Wrong pseudopotential format for Ge, Sb, Te on pseudodojo

  #169 opened 4 years ago by exenGT
  0

• How to connect to the previously ran and closed "flow" in "jupyter notebook" ?

  #162 opened 4 years ago by bradraj
  0

• ValueError: Kpoint weights should sum up to one while sum_weights is 0.000

  #217 opened 4 years ago
  1

• abiopen fails when chkprim = 0 defined in the input

  #203 opened 4 years ago by fekad
  0

• PackagesNotFoundError: The following packages are not available from current channels:

  #174 opened 6 years ago by lcodacal
  6

• Error when trying to run abiopen.py

  #199 opened 4 years ago by ssh77
  2

• Parse error for abinit build options

  #197 opened 5 years ago by antoine-levitt
  5

• Merge database using rapid

  #189 opened 5 years ago by Olivier7017
  2

• Dash app explicitly uses extension to recognize DDB

  #188 opened 5 years ago by JosjaVanBever
  1

• MemoryError

  #190 opened 5 years ago by Aplaus228
  6

• how do i draw structures to files in a shell

  #184 opened 5 years ago by QinboZhao
  0

• Discussion forum (or mailing list)? (Question about remote ABINIT)

  #182 opened 5 years ago by fhssn1
  0

• Missing netCDF file extension in symbolic links

  #181 opened 5 years ago by GkAntonius
  2

• getting abipy to launch jobs on my computing server

  #180 opened 5 years ago by GkAntonius
  5

• Why no input file template for structure optimization？

  #178 opened 6 years ago by pincher-chen
  2

• abicheck.py --with-flow never ended

  #179 opened 6 years ago by pistack
  1

• Bug of abilab.Structure.lattice??

  #177 opened 6 years ago by tlsong
  0

• Bug of high symmetry lines ?

  #166 opened 6 years ago by tlsong
  2

• Lobster cohp/coop/dos plotting import error

  #158 opened 6 years ago by bradraj
  4