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vasp-dev
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py4vasp
Python interface for VASP
https://vasp.at/py4vasp/latest/
Apache License 2.0
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Read electron-phonon quantities
#174
henriquemiranda
opened
15 hours ago
0
Rename tau to kinetic energy
#173
sudarshanv01
opened
1 day ago
0
Rename OSZICAR to electronic_minimization
#172
sudarshanv01
opened
1 day ago
0
Questions about future plans
#171
Leo3701
opened
3 days ago
2
Project DOS extraction
#170
samtsevich
opened
3 weeks ago
3
Update dependencies
#169
martin-schlipf
closed
1 month ago
0
Suggestion
#168
billcsu
opened
4 months ago
1
Bump urllib3 from 2.2.1 to 2.2.2
#167
dependabot[bot]
closed
4 months ago
0
Fix orbital moments
#166
martin-schlipf
opened
4 months ago
0
rename OSZICAR to electronic_minimization
#165
martin-schlipf
opened
4 months ago
1
Hide input files from API for 1.0 release
#164
martin-schlipf
opened
4 months ago
0
Hide input files
#163
martin-schlipf
opened
4 months ago
0
Structure does not send the right elements list
#162
sudarshanv01
closed
4 months ago
0
Bump requests from 2.31.0 to 2.32.2
#161
dependabot[bot]
closed
5 months ago
0
Bump tornado from 6.4 to 6.4.1
#160
dependabot[bot]
closed
5 months ago
0
Feat: input files in calculation module
#159
martin-schlipf
closed
5 months ago
0
STM settings as warg to the to_stm method of the PartialCharge class
#158
MichaelWolloch
closed
4 months ago
0
feat: support Python3.12
#157
martin-schlipf
closed
6 months ago
0
ci: update actions and Python version
#156
martin-schlipf
closed
6 months ago
0
Implement Contour plots
#155
martin-schlipf
closed
6 months ago
1
Improve to_converged
#154
sudarshanv01
closed
6 months ago
0
Small README update
#153
Shibu778
closed
6 months ago
1
Bump idna from 3.6 to 3.7
#152
dependabot[bot]
closed
7 months ago
0
Error while doing poetry run pytest
#151
Shibu778
closed
7 months ago
3
update readme
#150
Shibu778
closed
7 months ago
2
Bump black from 23.3.0 to 24.3.0 in /core
#149
dependabot[bot]
closed
7 months ago
0
Bump black from 23.3.0 to 24.3.0
#148
dependabot[bot]
closed
7 months ago
0
Bump pillow from 10.2.0 to 10.3.0
#147
dependabot[bot]
closed
7 months ago
0
Implement contour and quiver plots for densities
#146
martin-schlipf
closed
6 months ago
1
Prepare for release of version 0.9
#145
martin-schlipf
closed
7 months ago
0
Partial charges and stm
#144
MichaelWolloch
closed
6 months ago
0
structure plot function not work
#143
tuheihei
opened
8 months ago
5
Feat: clearer separation of View logic some refinement code
#142
martin-schlipf
closed
8 months ago
0
Update pyproject.toml - add mdtraj dependency
#141
janpriessnitz
closed
8 months ago
2
Doc: fix typo
#140
martin-schlipf
closed
9 months ago
0
Rename data package to calculation
#139
martin-schlipf
closed
9 months ago
0
Fixes to Potential and Scale
#138
sudarshanv01
closed
6 months ago
0
Bump pillow from 10.0.1 to 10.2.0
#137
dependabot[bot]
closed
9 months ago
0
Feat: Add OSZICAR information to HDF5
#136
sudarshanv01
closed
8 months ago
0
Bump jinja2 from 3.1.2 to 3.1.3
#135
dependabot[bot]
closed
10 months ago
0
Bump fonttools from 4.40.0 to 4.43.0
#134
dependabot[bot]
closed
10 months ago
0
Decide on Fermi energy for DOS and Band
#133
martin-schlipf
opened
10 months ago
0
OSZICAR data in the HDF5 file and access to it with py4vasp
#132
martin-schlipf
closed
8 months ago
0
Check if the calculation converged (both electronic and ionic convergence)
#131
martin-schlipf
opened
10 months ago
0
Revisit index of dataframe for Band
#130
martin-schlipf
opened
10 months ago
0
Set a default height for the graph, expose width and height to the user
#129
martin-schlipf
opened
10 months ago
0
Rewrite of the viewer logic
#128
martin-schlipf
closed
8 months ago
0
Clean API and update documentation
#127
martin-schlipf
opened
10 months ago
0
Change behaviour of bool and complex in VaspData
#126
martin-schlipf
opened
10 months ago
0
Check read() for consistency
#125
martin-schlipf
opened
10 months ago
1
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