lsmo-epfl aiida-zeopp issues

lsmo-epfl / aiida-zeopp

AiiDA plugin for zeo++

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issues

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Add `aiida-core==2.X` support

#70 mpougin closed 1 year ago
0
chore: unpin sqlalchemy version

#69 ltalirz closed 2 years ago
1
add MIT license

#68 ltalirz closed 3 years ago
1
remove deprecated PluginTestCase

#67 ltalirz closed 3 years ago
0
test aiida-core develop branch

#66 ltalirz closed 3 years ago
1
support undocumented `-allowAdjustCoordsAndCell` flag

#65 ltalirz closed 3 years ago
0
allow allowAdjustCoordsAndCell flag

#64 ltalirz closed 3 years ago
0
warn for unknown element symbols

#63 ltalirz opened 3 years ago
0
Raise warning if CIF file shows signs of zeo++ incompatibility

#62 ltalirz closed 3 years ago
3
add pypi deployment

#61 ltalirz closed 4 years ago
1
move to caching

#60 ltalirz closed 4 years ago
3
move from artifacts to caching

#59 ltalirz closed 4 years ago
0
enable github actions

#58 ezpzbz closed 4 years ago
2
try forcing six update

#57 ltalirz closed 4 years ago
1
fix pre-commit failure on travis

#56 ltalirz closed 4 years ago
1
Consider upgrade monty version to >= 3.0.2

#55 yakutovicha closed 4 years ago
1
switch to python3

#54 ltalirz closed 4 years ago
3
Python3 only release?

#53 yakutovicha closed 4 years ago
1
Force 1 cpu resources

#52 danieleongari closed 4 years ago
1
Acknowledge Swissuniversities in the README file

#51 borellim closed 4 years ago
4
make sure input filename has .cif extension

#50 ltalirz closed 4 years ago
3
add missing ASA output

#49 ezpzbz closed 4 years ago
6
fix pore-size-distribution parser

#48 ltalirz closed 5 years ago
3
Fix psd nan

#47 danieleongari closed 5 years ago
3
release v1.0.0

#46 ltalirz closed 5 years ago
1
Expected file list for zeo++ option with Boolean flag

#45 ezpzbz closed 5 years ago
1
make 'ha' option backward compatible

#44 ltalirz closed 5 years ago
1
add units to output parameters

#43 ltalirz closed 5 years ago
1
added units when not present in the label and count of blocking spheres

#42 danieleongari closed 5 years ago
2
add block as possible output to calculation plugin

#41 ltalirz closed 5 years ago
3
fix pymatgen python2.7 dependency

#40 ltalirz closed 5 years ago
0
Pr add count block and units

#39 danieleongari closed 5 years ago
7
Add 'visvoro' option

#38 ltalirz closed 5 years ago
10
Build zeo++ on travis

#37 ltalirz closed 5 years ago
0
switch to new testing framework

#36 ltalirz closed 5 years ago
1
fix "create-code" utility

#35 ltalirz closed 5 years ago
1
update README for example usage

#34 ltalirz closed 5 years ago
1
Improved example

#33 danieleongari closed 5 years ago
2
switch to bionic ubuntu distribution

#32 ltalirz closed 5 years ago
0
fix numpy version

#31 ltalirz closed 5 years ago
1
fix numpy version on travis

#30 ltalirz closed 5 years ago
0
Adding visvor option to the plugin

#29 ezpzbz closed 5 years ago
1
Bug fix on block file validation

#28 ezpzbz closed 5 years ago
2
fixes for aiida-core 1.0.0b3 & more

#27 ltalirz closed 5 years ago
1
add trove classifier

#26 ltalirz closed 5 years ago
0
fix boolean flag bug

#25 ltalirz closed 5 years ago
0
try fixing automatic pypi deployment

#24 ltalirz closed 5 years ago
0
workflow untested with aiida-core 1.0

#23 ltalirz closed 5 years ago
8
To merge

#22 ltalirz closed 5 years ago
2
Set up CI with Azure Pipelines [skip ci]

#21 ltalirz closed 5 years ago
2