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aiida-vasp
/
parsevasp
A general parser for VASP
MIT License
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13
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[pre-commit.ci] pre-commit autoupdate
#159
pre-commit-ci[bot]
closed
1 week ago
0
[pre-commit.ci] pre-commit autoupdate
#158
pre-commit-ci[bot]
closed
2 weeks ago
0
[pre-commit.ci] pre-commit autoupdate
#157
pre-commit-ci[bot]
closed
3 weeks ago
0
[pre-commit.ci] pre-commit autoupdate
#156
pre-commit-ci[bot]
closed
1 month ago
1
[pre-commit.ci] pre-commit autoupdate
#155
pre-commit-ci[bot]
closed
1 month ago
0
[pre-commit.ci] pre-commit autoupdate
#154
pre-commit-ci[bot]
closed
1 month ago
0
[pre-commit.ci] pre-commit autoupdate
#153
pre-commit-ci[bot]
closed
2 months ago
0
[pre-commit.ci] pre-commit autoupdate
#152
pre-commit-ci[bot]
closed
2 months ago
0
[pre-commit.ci] pre-commit autoupdate
#151
pre-commit-ci[bot]
closed
2 months ago
0
[pre-commit.ci] pre-commit autoupdate
#150
pre-commit-ci[bot]
closed
2 months ago
0
[pre-commit.ci] pre-commit autoupdate
#149
pre-commit-ci[bot]
closed
2 months ago
0
Migration to ruff, and some updates
#148
atztogo
closed
3 months ago
2
[pre-commit.ci] pre-commit autoupdate
#147
pre-commit-ci[bot]
closed
3 months ago
0
[pre-commit.ci] pre-commit autoupdate
#146
pre-commit-ci[bot]
closed
3 months ago
0
[pre-commit.ci] pre-commit autoupdate
#145
pre-commit-ci[bot]
closed
4 months ago
0
[pre-commit.ci] pre-commit autoupdate
#144
pre-commit-ci[bot]
closed
5 months ago
0
Should emit exception when putting numpy N-d array (N>0) to a scalar element of numpy array.
#143
atztogo
opened
6 months ago
0
Add EFG parser
#142
JPchico
opened
6 months ago
0
Add ZBRENT error to stream
#141
atztogo
closed
10 months ago
3
V3.2.1 into develop
#140
espenfl
closed
10 months ago
1
Release/v3.2.1
#139
espenfl
closed
1 year ago
1
Added more info regaring the use of pymatgen parsing of POTCAR
#138
espenfl
closed
1 year ago
1
Moved GitHub actions to Node 16 deps
#137
espenfl
closed
1 year ago
1
Master back into develop after v3.2.0 release
#136
espenfl
closed
1 year ago
1
Including Python 3.11 in CI
#135
espenfl
closed
1 year ago
1
Release/v3.2.0
#134
espenfl
closed
1 year ago
2
Removed future dep and aiida core pylint dep pinning
#133
espenfl
closed
1 year ago
1
125 potcar metada is not parsed
#132
JPchico
closed
1 year ago
8
Updated contact info
#131
espenfl
closed
1 year ago
1
Removed version helper script
#130
espenfl
closed
1 year ago
1
Moved to toml description
#129
espenfl
closed
1 year ago
2
Deprecation warning
#128
espenfl
closed
1 year ago
1
Dependency
#127
espenfl
closed
1 year ago
1
Fix old future reference
#126
espenfl
closed
1 year ago
1
POTCAR metadata is not parsed
#125
JPchico
closed
1 year ago
0
Tentative fix to run pre-commit via tox on python 3.10 venv
#124
atztogo
closed
1 year ago
2
Pylint version is old for pre-commit with python3.11
#123
atztogo
closed
1 year ago
2
Added a check for VASP start and fixed quote consistency
#122
espenfl
closed
1 year ago
9
Update incar.py
#121
zhubonan
closed
1 year ago
0
DFPT OUTCAR is not parsed properly
#120
atztogo
opened
1 year ago
0
Failing parsing OUTCAR of VASP 6.3.1 NBANDS
#119
atztogo
opened
2 years ago
2
doscar.py reads the pdos incorrectly
#118
adair-nicolson
closed
2 years ago
6
How to convert a poscar instance to an aiida StrutcureData ?
#117
sylviancadars
opened
2 years ago
6
Add generalized regular grid (Reciprocal mode)
#116
atztogo
closed
2 years ago
4
Merge/master
#115
espenfl
closed
2 years ago
1
Release/v3.1.0
#114
espenfl
closed
2 years ago
1
Removed pre-commit dep from aiida-core
#113
espenfl
closed
2 years ago
1
Release/v3.1.0
#112
espenfl
closed
2 years ago
0
Added band occupation to stream handler, nbands to run_status, removed six
#111
espenfl
closed
2 years ago
1
Release `v3.0.0`
#110
espenfl
closed
2 years ago
1
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