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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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error in import abilib
#254
rajeshatiitm
opened
2 years ago
7
Fix SlotPickleMixin import error
#253
BertJorissen
closed
2 years ago
1
python3.6.2 package not found error
#252
Charxil
opened
2 years ago
0
Erroneous energy conversion?
#251
m-schwendt
opened
2 years ago
0
Added get_differences method for AbinitInputFile objects.
#250
davidwaroquiers
closed
2 years ago
1
Gw factory functions
#249
davidwaroquiers
closed
2 years ago
0
refactor nscf factories
#248
gpetretto
closed
2 years ago
1
Ion ioncell relax input refactoring
#247
davidwaroquiers
closed
2 years ago
2
Update of ion_ioncell_relax_input unit test
#246
davidwaroquiers
closed
2 years ago
3
Schedular error
#245
Bloop10
opened
2 years ago
0
pytmatgen structure not abipy?
#244
jzwanzig
closed
2 years ago
1
Simplify the e-ph plotting script
#243
gbrunin
closed
2 years ago
0
Advanced script for plotting e-ph mobility results
#242
gbrunin
closed
2 years ago
1
automatic input generation without files file
#241
gpetretto
closed
2 years ago
1
Some NLO stuff
#240
gbrunin
closed
2 years ago
1
abistruct.py for eBAND
#239
namelessenko
closed
3 years ago
8
bugfix
#238
gpetretto
closed
3 years ago
0
Possible bug in abipy.dfpt.converters
#237
akentphonon
closed
3 years ago
1
PhononWork -> generating too many DFPT calculations
#236
cpashartis
opened
3 years ago
5
PackagesNotFoundError: The following packages are not available from current channels:
#235
BilalHasan125
closed
3 years ago
3
Plotly functions for ElectronDosPlotter and PhononDosPlotter
#234
heniar
closed
3 years ago
1
Why abistruct.py generate cell with acell 1.0 1.0 1.0?
#233
namelessenko
closed
3 years ago
2
ElectronBands.from_mpid fails with spin-polarized system
#232
savya10
closed
3 years ago
2
Small update on eph mobility
#231
gbrunin
closed
3 years ago
1
"NoneType object is not subscriptable" error when trying to plot a band structure
#230
RemiLacroix-IDRIS
opened
3 years ago
4
combiplotly and gridplotly for ElectronBands plotter
#229
heniar
closed
3 years ago
1
plotly for FatBandsFile
#228
heniar
closed
3 years ago
1
Cumulant expansion post-processing
#227
joaocarloscabreu
closed
2 years ago
1
Cumulant expansion
#226
joaocarloscabreu
closed
3 years ago
1
add HistFile.plotly and PhononBands.plotly_fatbands
#225
heniar
closed
3 years ago
1
Generate Phonopy object along with phonon band structure
#224
gpetretto
closed
3 years ago
1
Problems with newer versions of pymatgen
#223
thomaslettau
closed
3 years ago
2
plotly for ElectronDos and eband.plotly_with_edos
#222
heniar
closed
3 years ago
1
Added workflow for e-ph computations of the mobility in semiconductors
#221
gbrunin
closed
3 years ago
0
add SoundVelocity.plotly and DielectricTensorGenerator.plotly
#220
heniar
closed
3 years ago
1
add phdos.plotly_pjdos_type and eband.plotly
#219
heniar
closed
3 years ago
0
Where can i find WFK.nc?
#218
ghost
closed
3 years ago
2
ValueError: Kpoint weights should sum up to one while sum_weights is 0.000
#217
ghost
closed
3 years ago
1
Hotfix : @Structure Dependency
#216
Olivier7017
closed
2 years ago
2
Add PhononBandsPlotter.combiplotly
#215
heniar
closed
3 years ago
1
Add plotly version plot functions
#214
heniar
closed
3 years ago
0
Add ploty version plot functions
#213
heniar
closed
3 years ago
2
Add ploty version of several plot functions
#212
heniar
closed
3 years ago
0
bugfix and updates
#211
gpetretto
closed
3 years ago
0
New version of ConducWork
#210
Olivier7017
closed
3 years ago
2
Quick fix for loading the package
#209
fekad
closed
3 years ago
2
plot distances from qpt in ph BS
#208
gpetretto
closed
4 years ago
0
fix bug in sound velocity
#207
gpetretto
closed
4 years ago
0
fix unit factor
#206
gpetretto
closed
4 years ago
0
[WIP] Converters for ddb
#205
gpetretto
closed
4 years ago
1
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