issues
search
aiida-vasp
/
parsevasp
A general parser for VASP
MIT License
13
stars
13
forks
source link
issues
Newest
Newest
Most commented
Recently updated
Oldest
Least commented
Least recently updated
Added pre-commit under tox and fixed linting
#109
espenfl
closed
2 years ago
1
Added fixes needed to be compatible with AiiDA v2
#108
espenfl
closed
2 years ago
1
Added bugfixes to make sure GW vasprun can be read and added test
#107
espenfl
closed
2 years ago
1
Fixed docstring for the status when getting the energies
#106
espenfl
closed
2 years ago
1
Add VTST tags to the INCAR parser
#105
espenfl
opened
2 years ago
0
Fix logging
#104
zhubonan
closed
2 years ago
2
ipython issue
#103
atztogo
closed
2 years ago
6
Removed entry for now removed logger in docstring
#102
espenfl
closed
2 years ago
2
Setup pre-commit
#101
atztogo
closed
2 years ago
10
Fixed class definitions
#100
espenfl
closed
2 years ago
3
Replaced bands data container names with eigenvalues
#99
espenfl
closed
2 years ago
1
Fix pDOS mapping in parsing DOSCAR
#98
lan496
closed
2 years ago
2
Fixed consistency between vasprun and EIGENVAL parser
#97
espenfl
closed
2 years ago
1
Conflicted number of lines to map from DOSCAR to dtype
#96
lan496
closed
2 years ago
2
Add error message for incomplete OUTCAR
#95
lan496
closed
2 years ago
1
UnboundLocalError at parsing OUTCAR from crashed calculation
#94
lan496
closed
2 years ago
0
Updated docstrings
#93
espenfl
closed
2 years ago
1
Removed symmetry entries for OUTCAR parser and fixed CHGCAR test data
#92
espenfl
closed
2 years ago
1
N/A in OUTCAR
#91
atztogo
closed
2 years ago
2
Added CHGCAR parser and tests
#90
espenfl
closed
2 years ago
1
Fixed tetra is None if not found
#89
espenfl
closed
2 years ago
1
Fixed split of system for EIGENVAL and tests
#88
espenfl
closed
2 years ago
1
Added test for metadata for DOSCAR parser
#87
espenfl
closed
2 years ago
0
Fixed splitting of comments in DOSCAR parser
#86
espenfl
closed
2 years ago
1
Added file handlers to write, adapted tests and generalized
#85
espenfl
closed
2 years ago
1
Update write to accept handlers
#84
espenfl
closed
2 years ago
0
Options for non mandetory quantities
#83
espenfl
opened
2 years ago
0
Added Python 3.9.x to the tests
#82
espenfl
closed
3 years ago
1
Cleaned docstrings
#81
espenfl
closed
3 years ago
1
Remove symmetries
#80
espenfl
opened
3 years ago
2
Added stats, status, EIGENVAL and DOSCAR parser from AiiDA-VASP and a few tests
#79
espenfl
closed
3 years ago
1
Enrich OUTCAR, add EIGENVAL and DOSCAR parser
#78
espenfl
closed
3 years ago
5
Add support for BSE
#77
espenfl
opened
3 years ago
0
Add support for GW calculations.
#76
espenfl
opened
3 years ago
0
Update poscar.py
#75
IlyaFed
closed
2 years ago
2
bug-fix release to include the VASP6 timiming fix
#74
zhubonan
opened
3 years ago
1
Convert to file handlers
#73
espenfl
opened
3 years ago
0
noncollinear spin dos not supported
#72
zhubonan
opened
3 years ago
1
Fix timiming/memory lines being be N/A in VASP
#71
zhubonan
closed
3 years ago
3
Remove exits and use exceptions instead
#70
espenfl
opened
3 years ago
0
Removed link to error messages between Incar and IncarItem
#69
espenfl
closed
3 years ago
2
IncarItem doesn't have ERROR_MESSAGES but used in
#68
atztogo
closed
3 years ago
3
Added MAGMOM error
#67
espenfl
closed
3 years ago
1
Added error that can happen if you only set NSW
#66
espenfl
closed
3 years ago
1
Merge v2.0.1 develop
#65
espenfl
closed
3 years ago
1
Release v2.0.1
#64
espenfl
closed
3 years ago
1
make a bug fix release for #62
#63
zhubonan
closed
3 years ago
1
Fix truncate detection
#62
zhubonan
closed
3 years ago
2
Merge v2.0.0 develop
#61
espenfl
closed
3 years ago
1
Release v2.0.0
#60
espenfl
closed
3 years ago
1
Previous
Next