ltalirz/aiida-zeopp issues and pull requests

#69 - chore: unpin sqlalchemy version

Pull Request - State: closed - Opened by ltalirz about 3 years ago - 1 comment

#68 - add MIT license

Pull Request - State: closed - Opened by ltalirz over 3 years ago - 1 comment

#67 - remove deprecated PluginTestCase

Pull Request - State: closed - Opened by ltalirz over 3 years ago

#66 - test aiida-core develop branch

Pull Request - State: closed - Opened by ltalirz over 3 years ago - 1 comment

#65 - support undocumented `-allowAdjustCoordsAndCell` flag

Pull Request - State: closed - Opened by ltalirz over 3 years ago

#64 - allow allowAdjustCoordsAndCell flag

Issue - State: closed - Opened by ltalirz over 3 years ago

#63 - warn for unknown element symbols

Issue - State: open - Opened by ltalirz over 3 years ago

#62 - Raise warning if CIF file shows signs of zeo++ incompatibility

Issue - State: closed - Opened by ltalirz about 4 years ago - 3 comments

#61 - add pypi deployment

Pull Request - State: closed - Opened by ltalirz over 4 years ago - 1 comment

#60 - move to caching

Pull Request - State: closed - Opened by ltalirz over 4 years ago - 3 comments

#59 - move from artifacts to caching

Issue - State: closed - Opened by ltalirz over 4 years ago

#58 - enable github actions

Pull Request - State: closed - Opened by pzarabadip over 4 years ago - 2 comments

#57 - try forcing six update

Pull Request - State: closed - Opened by ltalirz almost 5 years ago - 1 comment

#56 - fix pre-commit failure on travis

Pull Request - State: closed - Opened by ltalirz almost 5 years ago - 1 comment

#55 - Consider upgrade monty version to >= 3.0.2

Issue - State: closed - Opened by yakutovicha almost 5 years ago - 1 comment

#54 - switch to python3

Pull Request - State: closed - Opened by ltalirz almost 5 years ago - 3 comments

#53 - Python3 only release?

Issue - State: closed - Opened by yakutovicha almost 5 years ago - 1 comment

#52 - Force 1 cpu resources

Issue - State: closed - Opened by danieleongari almost 5 years ago - 1 comment

#51 - Acknowledge Swissuniversities in the README file

Pull Request - State: closed - Opened by borellim almost 5 years ago - 4 comments

#50 - make sure input filename has .cif extension

Pull Request - State: closed - Opened by ltalirz about 5 years ago - 3 comments

#49 - add missing ASA output

Pull Request - State: closed - Opened by pzarabadip about 5 years ago - 6 comments

#48 - fix pore-size-distribution parser

Pull Request - State: closed - Opened by ltalirz about 5 years ago - 3 comments

#47 - Fix psd nan

Pull Request - State: closed - Opened by danieleongari about 5 years ago - 3 comments

#46 - release v1.0.0

Pull Request - State: closed - Opened by ltalirz about 5 years ago - 1 comment

#45 - Expected file list for zeo++ option with Boolean flag

Issue - State: closed - Opened by pzarabadip about 5 years ago - 1 comment

#44 - make 'ha' option backward compatible

Pull Request - State: closed - Opened by ltalirz about 5 years ago - 1 comment

#43 - add units to output parameters

Pull Request - State: closed - Opened by ltalirz about 5 years ago - 1 comment

#42 - added units when not present in the label and count of blocking spheres

Pull Request - State: closed - Opened by danieleongari about 5 years ago - 2 comments

#41 - add block as possible output to calculation plugin

Pull Request - State: closed - Opened by ltalirz about 5 years ago - 3 comments

#40 - fix pymatgen python2.7 dependency

Pull Request - State: closed - Opened by ltalirz about 5 years ago

#39 - Pr add count block and units

Pull Request - State: closed - Opened by danieleongari about 5 years ago - 7 comments

#38 - Add 'visvoro' option

Pull Request - State: closed - Opened by ltalirz about 5 years ago - 10 comments

#37 - Build zeo++ on travis

Pull Request - State: closed - Opened by ltalirz about 5 years ago

#36 - switch to new testing framework

Issue - State: closed - Opened by ltalirz about 5 years ago - 1 comment

#35 - fix "create-code" utility

Issue - State: closed - Opened by ltalirz about 5 years ago - 1 comment

#34 - update README for example usage

Issue - State: closed - Opened by ltalirz about 5 years ago - 1 comment

#33 - Improved example

Pull Request - State: closed - Opened by danieleongari about 5 years ago - 2 comments

#32 - switch to bionic ubuntu distribution

Pull Request - State: closed - Opened by ltalirz about 5 years ago

#31 - fix numpy version

Pull Request - State: closed - Opened by ltalirz about 5 years ago - 1 comment

#30 - fix numpy version on travis

Pull Request - State: closed - Opened by ltalirz about 5 years ago

#29 - Adding visvor option to the plugin

Pull Request - State: closed - Opened by pzarabadip about 5 years ago - 1 comment

#28 - Bug fix on block file validation

Pull Request - State: closed - Opened by pzarabadip over 5 years ago - 2 comments

#27 - fixes for aiida-core 1.0.0b3 & more

Pull Request - State: closed - Opened by ltalirz over 5 years ago - 1 comment

#26 - add trove classifier

Pull Request - State: closed - Opened by ltalirz over 5 years ago

#25 - fix boolean flag bug

Pull Request - State: closed - Opened by ltalirz over 5 years ago

#24 - try fixing automatic pypi deployment

Pull Request - State: closed - Opened by ltalirz over 5 years ago

#23 - workflow untested with aiida-core 1.0

Issue - State: closed - Opened by ltalirz over 5 years ago - 8 comments

#22 - To merge

Pull Request - State: closed - Opened by ltalirz over 5 years ago - 2 comments

#21 - Set up CI with Azure Pipelines [skip ci]

Pull Request - State: closed - Opened by ltalirz over 5 years ago - 2 comments

#20 - Release v1.0.0a1

Pull Request - State: closed - Opened by ltalirz over 5 years ago - 2 comments

#19 - Added pore size distribution parser (.psd files)

Pull Request - State: closed - Opened by kjappelbaum over 5 years ago - 1 comment

#18 - Blocked pockets workaround

Pull Request - State: closed - Opened by ltalirz almost 6 years ago - 1 comment

#17 - add schema + update README

Pull Request - State: closed - Opened by ltalirz almost 6 years ago