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aiidateam
/
qe-tools
A set of useful tools for Quantum ESPRESSO
MIT License
28
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13
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When ibrav is non-zero, alat is *not* the first lattice vector
#27
giovannipizzi
closed
4 years ago
0
Wrong alat used if ibrav != 0
#26
giovannipizzi
closed
4 years ago
1
Slight inconsistencies in physical constants
#25
sphuber
opened
4 years ago
9
Release v1.1.3
#24
sphuber
closed
4 years ago
0
Fix documentation on returned value for kpoints
#23
giovannipizzi
closed
4 years ago
0
Removing AiiDA implicit dependency from qe_tools
#22
giovannipizzi
closed
4 years ago
0
dictionary problem with k_points
#21
whzhangg
closed
4 years ago
0
Merge pull request #19 from aiidateam/release-1.1.2
#20
giovannipizzi
closed
5 years ago
0
Release 1.1.2
#19
giovannipizzi
closed
5 years ago
0
Problem when encountering comments
#18
giovannipizzi
closed
5 years ago
1
Merge in master
#17
giovannipizzi
closed
5 years ago
0
Fix exponential regex time
#16
giovannipizzi
closed
5 years ago
0
Exponentially-slow regex
#15
giovannipizzi
opened
5 years ago
2
Added MANIFEST file (and fixed version number)
#14
giovannipizzi
closed
5 years ago
0
Distribution requires MANIFEST.in file to include setup.json
#13
sphuber
closed
5 years ago
1
Merge into dev
#12
giovannipizzi
closed
6 years ago
0
Changed version number in setup.json
#11
lekah
closed
6 years ago
0
prepare master for release
#10
lekah
closed
6 years ago
0
Prepare new version
#9
lekah
closed
6 years ago
0
Fix 7 attribute error
#8
lekah
closed
6 years ago
0
AttributeError when calling get_structuredata
#7
lekah
closed
6 years ago
0
Windows newlines
#6
giovannipizzi
closed
6 years ago
0
Windows newlines are not dealt with properly
#5
giovannipizzi
closed
6 years ago
0
This resolves #2, by changing the regular expression parsing strings.…
#4
lekah
closed
6 years ago
0
remove aiida dependencies?
#3
ltalirz
closed
4 years ago
3
Problem with floats without a dot specified
#2
giovannipizzi
closed
6 years ago
0
Please provide a few more details on the purpose of this repo
#1
ltalirz
closed
6 years ago
4
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