Ecosyste.ms: Issues

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GitHub / aiidaplugins/aiida-crystal17 issues and pull requests

#38 - Adding HYBRID/NONLOCAL keywords + a bug fix

Pull Request - State: closed - Opened by pzarabadip over 3 years ago - 6 comments

#37 - [Feature] Adding `HYBRID` and `NONLOCAL` input parameters

Issue - State: closed - Opened by ezpzbz over 3 years ago - 4 comments

#36 - 🚀 RELEASE: v0.11.0

Pull Request - State: closed - Opened by chrisjsewell about 4 years ago - 1 comment

#35 - ⬆️ Update to aiida-core v1.4.0

Pull Request - State: closed - Opened by chrisjsewell about 4 years ago - 1 comment

#34 - Installation errors

Issue - State: open - Opened by chrisjsewell over 4 years ago - 5 comments

#33 - Add D3 Dispersion Correction Input

Pull Request - State: closed - Opened by chrisjsewell almost 5 years ago

#32 - Add PPAN properties calculation

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

#31 - Add parsing of CRYSTAL `ROTCRY` input

Pull Request - State: closed - Opened by chrisjsewell almost 5 years ago

#30 - setup requirements hardcode aiida-core version

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

#29 - Update Process defaults to use lambdas

Issue - State: open - Opened by chrisjsewell about 5 years ago

#27 - Release v0.10.0b5

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

#26 - Various Improvements

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

#25 - please prefix entry points with 'crystal17.'

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

#24 - Update Properties calculations/workflow and add ECH3

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

#23 - Improve parsers

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

#22 - Pytest plugin

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

#21 - Programatically Access Test Resource Files

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

#20 - Test Pre commit in travis

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

#19 - Release v0.9.2b5

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

#18 - Add Basis Sets parser

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

#17 - Version Bump

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

#16 - add command line functions for parsing crystal stdout and stdin files

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

#15 - Update Documentation

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

#14 - Add pre-commit

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

#13 - minor fixes

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

#12 - Release v0.9.0b5

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

#11 - Upgrade to aiida v1.0.0b5

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

#10 - Re-work GULP calculations and add `gulp.fitting`

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

#9 - Run program directly from `crystal` executable

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

#8 - v0.6.0b3 release

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

#7 - Gulp fixes

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

#6 - Update to aiida-core v1.0.0b3

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

#5 - Add GULP computations

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

#4 - Add GULP calculations

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

#3 - Update to aiida-core v1.0.0b2 (#2)

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

#2 - Update to aiida-core v1.0.0b2

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

#1 - Add test of aiida v1.0 on python 3

Issue - State: closed - Opened by chrisjsewell about 6 years ago
Labels: Testing