Ecosyste.ms: Issues

An open API service for providing issue and pull request metadata for open source projects.

GitHub / JuDFTteam/aiida-kkr issues and pull requests

#156 - Development of STM workchain

Pull Request - State: open - Opened by PhilippRue 8 months ago

#155 - Bugfix combine imps workflow after update to aiida v2

Pull Request - State: closed - Opened by PhilippRue 9 months ago

#154 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: open - Opened by pre-commit-ci[bot] 9 months ago

#153 - kkr_imp_dos workflow doesn't return the GF

Issue - State: open - Opened by Raff-physics 10 months ago - 2 comments

#152 - Bump pylint from 3.0.2 to 3.1.0

Pull Request - State: open - Opened by dependabot[bot] 12 months ago
Labels: dependencies

#151 - Bump pre-commit from 3.5.0 to 3.6.2

Pull Request - State: open - Opened by dependabot[bot] 12 months ago
Labels: dependencies

#150 - Bump pre-commit from 3.5.0 to 3.6.1

Pull Request - State: closed - Opened by dependabot[bot] 12 months ago - 1 comment
Labels: dependencies

#149 - Bump pre-commit from 3.5.0 to 3.6.0

Pull Request - State: closed - Opened by dependabot[bot] about 1 year ago - 2 comments
Labels: dependencies

#148 - Bump pylint from 3.0.2 to 3.0.3

Pull Request - State: closed - Opened by dependabot[bot] about 1 year ago - 2 comments
Labels: dependencies

#147 - Bump yapf from 0.33.0 to 0.40.2

Pull Request - State: closed - Opened by dependabot[bot] about 1 year ago - 2 comments
Labels: dependencies

#146 - Bump pylint from 2.17.4 to 3.0.2

Pull Request - State: closed - Opened by dependabot[bot] about 1 year ago
Labels: dependencies

#145 - Bump pre-commit from 3.3.3 to 3.5.0

Pull Request - State: closed - Opened by dependabot[bot] about 1 year ago
Labels: dependencies

#144 - Release v2.1.0

Pull Request - State: closed - Opened by PhilippRue about 1 year ago - 1 comment

#143 - Cashing broken in Kkrimp workflow tests

Issue - State: open - Opened by PhilippRue about 1 year ago - 1 comment
Labels: bug

#142 - Update tests for new version of aiida-core

Pull Request - State: closed - Opened by PhilippRue about 1 year ago - 2 comments

#141 - Fix finding parent structure for KkrimpCalculation

Pull Request - State: closed - Opened by PhilippRue about 1 year ago

#140 - Update tutorial command to aiida version 2

Issue - State: closed - Opened by NihilisticDream99 about 1 year ago - 1 comment

#139 - Fix error plot_kkr

Pull Request - State: closed - Opened by NihilisticDream99 about 1 year ago

#138 - plot_kkr crashes with imp scf workchain

Issue - State: closed - Opened by NihilisticDream99 about 1 year ago

#137 - `find_parent_structure` does not work from a KkrimpCalculation node

Issue - State: open - Opened by NihilisticDream99 about 1 year ago - 3 comments
Labels: bug

#136 - Rotations in KKRimp code

Pull Request - State: closed - Opened by PhilippRue over 1 year ago

#135 - Bump yapf from 0.33.0 to 0.40.1

Pull Request - State: closed - Opened by dependabot[bot] over 1 year ago
Labels: dependencies

#134 - Bump pre-commit from 3.2.2 to 3.3.3

Pull Request - State: closed - Opened by dependabot[bot] over 1 year ago
Labels: dependencies

#133 - Bump yapf from 0.33.0 to 0.40.0

Pull Request - State: closed - Opened by dependabot[bot] over 1 year ago - 1 comment
Labels: dependencies

#132 - plot_kkr structure plot paints black spheres with no lighting or shading

Issue - State: open - Opened by Irratzo over 1 year ago - 1 comment
Labels: bug

#131 - plot_kkr fails with kkr_imp_wc, combine_imps_wc workchains

Issue - State: open - Opened by Irratzo over 1 year ago
Labels: bug, critical

#130 - Bump pre-commit from 3.2.2 to 3.3.2

Pull Request - State: closed - Opened by dependabot[bot] over 1 year ago - 1 comment
Labels: dependencies

#129 - Bump pylint from 2.17.2 to 2.17.4

Pull Request - State: closed - Opened by dependabot[bot] almost 2 years ago
Labels: dependencies

#128 - Bump pre-commit from 3.2.2 to 3.3.1

Pull Request - State: closed - Opened by dependabot[bot] almost 2 years ago - 1 comment
Labels: dependencies

#127 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] almost 2 years ago

#126 - Bump pylint from 2.17.2 to 2.17.3

Pull Request - State: closed - Opened by dependabot[bot] almost 2 years ago - 1 comment
Labels: dependencies

#125 - Real-space QPI workchain

Pull Request - State: open - Opened by PhilippRue almost 2 years ago

#124 - Bump yapf from 0.32.0 to 0.33.0

Pull Request - State: closed - Opened by dependabot[bot] almost 2 years ago
Labels: dependencies

#123 - Release v2.0.0

Pull Request - State: closed - Opened by PhilippRue almost 2 years ago - 1 comment

#122 - Bump yapf from 0.28.0 to 0.32.0

Pull Request - State: closed - Opened by dependabot[bot] almost 2 years ago - 1 comment
Labels: dependencies

#121 - Bump pylint from 2.3.1 to 2.17.2

Pull Request - State: closed - Opened by dependabot[bot] almost 2 years ago - 1 comment
Labels: dependencies

#120 - Bump pre-commit from 1.17.0 to 3.2.2

Pull Request - State: closed - Opened by dependabot[bot] almost 2 years ago - 1 comment
Labels: dependencies

#119 - Update markupsafe requirement from <2.1.0 to <2.2.0

Pull Request - State: closed - Opened by dependabot[bot] almost 2 years ago - 1 comment
Labels: dependencies

#118 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] almost 2 years ago - 1 comment

#117 - Release 1.1.13

Pull Request - State: closed - Opened by PhilippRue almost 2 years ago - 1 comment

#116 - Update docs to AiiDA v2.x and Jupyter Book

Issue - State: open - Opened by Irratzo about 2 years ago - 1 comment
Labels: enhancement

#115 - Implement base restart functionality

Pull Request - State: open - Opened by PhilippRue about 2 years ago

#114 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] about 2 years ago - 1 comment

#113 - Support for workflows with aiida-2.X

Pull Request - State: closed - Opened by PhilippRue about 2 years ago - 1 comment

#112 - He we started the host_BdG devolopment

Pull Request - State: open - Opened by MRHemmati over 2 years ago - 1 comment

#111 - Development of BdG impurity workflow

Pull Request - State: closed - Opened by dantogni over 2 years ago - 1 comment

#110 - kkr_imp_wc inputs

Issue - State: open - Opened by dantogni over 2 years ago

#109 - Next release

Pull Request - State: closed - Opened by PhilippRue over 2 years ago - 1 comment

#108 - Improve verbosity control in reports

Issue - State: open - Opened by PhilippRue over 2 years ago

#107 - Add tools and missing workflows

Pull Request - State: closed - Opened by PhilippRue over 2 years ago - 1 comment

#106 - Small improvements

Pull Request - State: closed - Opened by PhilippRue over 2 years ago - 1 comment

#104 - Fix issues #26 and #55

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

#103 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] over 2 years ago - 1 comment

#102 - Develop

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

#101 - Fix tests

Pull Request - State: closed - Opened by PhilippRue over 2 years ago - 1 comment

#100 - Minor bugfixes to treatment of core states

Pull Request - State: closed - Opened by PhilippRue over 2 years ago - 1 comment

#99 - Get rid of unused `ef_shift` input to kkrimp_dos workflow

Issue - State: closed - Opened by PhilippRue over 2 years ago

#98 - Fix caching of tests

Issue - State: open - Opened by PhilippRue over 2 years ago

#97 - Support/aiida 2.x

Pull Request - State: closed - Opened by PhilippRue over 2 years ago - 1 comment

#96 - KKRnano

Pull Request - State: closed - Opened by markusstruckmann almost 3 years ago - 2 comments

#95 - VERT 3D error in voronoi step

Issue - State: closed - Opened by Sayan611 almost 3 years ago

#94 - Very slow convergence for large slab calculations

Issue - State: closed - Opened by Sayan611 about 3 years ago

#93 - "STARTB1:...." error in convergence step

Issue - State: closed - Opened by Sayan611 about 3 years ago - 4 comments

#92 - Error in finding Bi potential in ElementDataBase

Issue - State: closed - Opened by Sayan611 about 3 years ago - 1 comment

#91 - Input conversion error in shapefun file

Issue - State: closed - Opened by Sayan611 about 3 years ago

#89 - Add non-collinear attribute to the PotentialData

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

#87 - Change the modification of the EF in the kkrcalculation

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

#83 - Create calcfunctions for potential file modification

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

#82 - Add decimation files to the refactored kkr calculation

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

#81 - Develop

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

#80 - entry point prefix

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

#79 - Imp data extrac tool

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

#78 - Lift masci-tools requirement

Issue - State: closed - Opened by janssenhenning over 3 years ago - 1 comment

#77 - Ignore deprecated kkrparam keys

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

#76 - Sub SCF calculation do not keep provenance of the structures

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

#75 - correcting the Vpos in the parse_Jij_function

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

#74 - Update frozendict requirement from <2.0 to <3.0

Pull Request - State: closed - Opened by dependabot[bot] over 3 years ago - 2 comments
Labels: dependencies

#73 - Update sqlalchemy requirement from <1.4.0 to <1.5.0

Pull Request - State: closed - Opened by dependabot[bot] over 3 years ago - 1 comment
Labels: dependencies

#72 - Add functionality for BdG calculations

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

#71 - bandstructure and DOS workflows don't recognize non-collinear angles

Issue - State: closed - Opened by PhilippRue over 3 years ago - 1 comment

#70 - small bug fixing and small edit

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

#69 - EOS workchain failing for CPA

Issue - State: closed - Opened by JPchico over 3 years ago - 7 comments

#68 - Bandstructure wf

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

#67 - Update masci-tools requirement from ^0.3.12.dev5 to >=0.3.12,<0.5.0

Pull Request - State: closed - Opened by dependabot[bot] almost 4 years ago
Labels: dependencies

#66 - Upgrade to GitHub-native Dependabot

Pull Request - State: closed - Opened by dependabot-preview[bot] almost 4 years ago
Labels: dependencies

#65 - Fix for issue #64

Pull Request - State: closed - Opened by PhilippRue almost 4 years ago - 1 comment

#64 - DOS mode not working in `kkr_scf_wc`

Issue - State: closed - Opened by PhilippRue almost 4 years ago - 1 comment
Labels: bug

#62 - Modifying the EOS workchain so that i works with alloys

Pull Request - State: closed - Opened by JPchico almost 4 years ago - 1 comment

#61 - EOS workchain rescale function not working with CPA

Issue - State: closed - Opened by JPchico almost 4 years ago

#60 - Combined impurity wf

Pull Request - State: closed - Opened by RubelMozumder almost 4 years ago - 1 comment

#59 - Check impurity info node comparison

Issue - State: closed - Opened by PhilippRue almost 4 years ago - 1 comment

#58 - Update masci-tools requirement from ^0.3.12.dev5 to >=0.3.12,<0.5.0

Pull Request - State: closed - Opened by dependabot-preview[bot] almost 4 years ago - 1 comment
Labels: dependencies