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abinit
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abipy
Open-source library for analyzing the results produced by ABINIT
http://abinit.github.io/abipy
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Improve slightly the examples of LumiWorks. Also fix typos.
#304
gonzex
closed
1 week ago
0
Fix dead link and add resource to docs/workflows/taskmanager.rst
#303
cyr1l0u
closed
3 weeks ago
1
ValueError: Unknown DictSet MPStaticSet, must be one of ['DictSet']
#302
Guodonglin-cqust
closed
1 month ago
2
Test factories ddkpert, ddepert, dtepert
#301
VicTrqt
closed
1 month ago
1
small modification for QHA
#300
samarerstm
closed
1 month ago
0
Revert "Some modification and new files for QHA"
#299
gmatteo
closed
1 month ago
0
New factories for atomate2 WFs
#298
VicTrqt
closed
1 month ago
0
Added ionmov=22 to the list of valid ionmov values
#297
jingslaw
closed
1 month ago
2
Phonon angular mometum + PhononWork:prepgkk option
#296
MaxMignolet
closed
1 month ago
1
keyword argument 'kw_only'
#295
yuchen230
opened
2 months ago
1
Some modification and new files for QHA
#294
samarerstm
closed
1 month ago
0
Memory units
#293
gbrunin
closed
4 months ago
0
Replace pkg_resources with packaging
#292
GkAntonius
closed
4 months ago
1
phonon resolved luminescent Lineshape
#291
jbouquiaux
closed
6 months ago
1
Monty type error
#290
TraceBivens
opened
6 months ago
0
Bump pymatgen from 2023.7.17 to 2024.2.20
#289
dependabot[bot]
closed
1 month ago
1
Compatibility with pymatgen
#288
Konjkov
opened
9 months ago
0
Import optimisation
#287
SurgeArrester
closed
9 months ago
1
Add import pytest in some files in integration_tests
#286
jmbeuken
closed
9 months ago
0
Skip some tests in integration_tests
#285
jmbeuken
closed
9 months ago
0
Backwards compatibility for deprecated pymatgen.core.units.Memory.from_string
#284
SurgeArrester
closed
9 months ago
1
Various fixes and modifs for atomate2 development
#283
VicTrqt
closed
10 months ago
1
Embedding ifc
#282
jbouquiaux
closed
10 months ago
1
EventReport.stat file not found error handling
#281
gbrunin
closed
12 months ago
1
LRUJ plot
#280
lmacenul
closed
1 year ago
1
Local manager does not limit the number of running tasks
#279
RaphaelRobidas
opened
1 year ago
0
Abiypy electron ebands.py part problem
#278
Sushiki-suda
opened
1 year ago
0
Removed bugs in `abipy.panels.core.ply()` function
#277
SurgeArrester
closed
1 year ago
1
Fix for plot functions in eph/rta.py
#276
hdanielk
closed
12 months ago
1
Delay imports of `Poscar` and `Chgcar` of `pymatgen.io.vasp.outputs`
#275
sphuber
closed
1 year ago
1
module 'pymatgen.io.abinit.netcdf' has no attribute 'ETSF_Reader'
#274
abdelghany0
opened
1 year ago
3
Lumi work delta scf
#273
jbouquiaux
closed
1 year ago
0
testing new algorithm + testing some changes
#272
arsalan-akhtar
closed
1 year ago
0
fix conversion from pmg phonon bs
#271
gpetretto
closed
1 year ago
0
fix qha
#270
gpetretto
closed
1 year ago
1
Reintroduce Python 3.8 support
#269
mbercx
closed
1 year ago
2
Reintroduce support for Python 3.8?
#268
mbercx
closed
1 year ago
0
Fix `AbinitTimerParseError` import
#267
mbercx
closed
1 year ago
7
Import from `typing` instead `pymatgen.util.typing`
#266
mbercx
closed
1 year ago
0
🐛 `NameError`: name 'TYPE_CHECKING' is not defined
#265
mbercx
closed
1 year ago
0
Replace `monty.os.path.which` with `shutil.which`
#264
mbercx
closed
1 year ago
2
`which` has been removed from `monty.os.path`
#263
mbercx
closed
1 year ago
1
ImportError when using abicheck.py with abipy and pymatgen
#262
emayMTK
closed
1 year ago
1
pinning the pymatgen version?
#261
unkcpz
closed
1 year ago
3
pydantic 2.0: `BaseSettings` has been moved to the `pydantic-settings` package.
#260
marcodigennaro
opened
1 year ago
0
NLCoefFlow
#259
VicTrqt
closed
1 year ago
0
Incompatible with recent `pymatgen`
#258
sphuber
opened
1 year ago
5
Incompatible with `numpy>=1.24.0`
#257
sphuber
opened
1 year ago
0
add option to convert from phonopy yaml file to ddb
#256
mailhexu
closed
1 year ago
0
Private reporting of a potential security vulnerability
#255
Sim4n6
closed
1 year ago
1
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