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aiidateam / aiida-vasp
47%

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DEFAULT BRANCH: develop
Repo Added 15 Mar 2018 04:09PM UTC
Files 140
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  • develop
  • benchmarks
  • fix_potcar_error
  • fix_testvasp
  • immigrant
  • master
  • parsevasp
  • v0.2.3

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Immigrant mechanism (#207)

* work on immigrant

* immigrant: split create_input_nodes, add settings input

* immigrant: Add unit test for creating inputs

* add and test manual POTCAR choice

* immigrant: fix create inputs test

* Working Immigrant JobProcess

* wip: immigrant job process unit tests

* immigrant: unit test passes

* move immigrant factory to base vasp calc

* immigrant: add test for raw_input folder

* enhance VaspCalculation.immigrant docstring

* immigrant: test with non-rmq runner

* restart: compatibility for has_finished / is_finished

* add immigrant docs

* remove unnecessary state check

3404 of 7298 relevant lines covered (46.64%)

0.47 hits per line

Relevant lines Covered
Build:
Build:
7298 RELEVANT LINES 3404 COVERED LINES
0.47 HITS PER LINE
Source Files on develop
  • List 0
  • Changed 22
  • Source Changed 21
  • Coverage Changed 19
Coverage ∆ File Lines Relevant Covered Missed Hits/Line

Recent builds

Builds Branch Commit Type Ran Committer Via Coverage
777 develop Immigrant mechanism (#207) * work on immigrant * immigrant: split create_input_nodes, add settings input * immigrant: Add unit test for creating inputs * add and test manual POTCAR choice * immigrant: fix create inputs test * Worki... push 27 Aug 2018 11:45AM UTC web-flow travis-ci pending completion  
755 develop Updated parsevasp dependency to 0.2.18 due introduction of bugs during the previous fix. Added tests to parsevasp to avoid this in the future push 14 Aug 2018 01:35PM UTC DropD travis-ci pending completion  
747 develop fix links in README to point to the aiida-team repo push 10 Aug 2018 12:39PM UTC DropD travis-ci pending completion  
735 develop Fixed a bug with the ordering of the quantities in ExampleFileParser (#203) * Fixed a bug with the ordering of the quantities in ExampleFileParser * Quantities added by the user are now separate from the FileParsers * Updating the test, tha... push 09 Aug 2018 03:26PM UTC DropD travis-ci pending completion  
724 develop Removed obsolete/redundant 'parsers' card from quantity_definitions (#197) push 08 Aug 2018 10:32AM UTC DropD travis-ci pending completion  
721 develop Merge pull request #194 from espenfl/develop Fixed an issue with iterable over None when no parser_settings push 08 Aug 2018 07:09AM UTC web-flow travis-ci pending completion  
719 develop Merge remote-tracking branch 'upstream/develop' into develop Pull #194 07 Aug 2018 03:12PM UTC web-flow travis-ci pending completion  
718 develop Merge pull request #196 from mcallsen/vasprun Fixed VasprunParsers behaviour if vasprun.xml is unparsable push 07 Aug 2018 02:30PM UTC web-flow travis-ci pending completion  
716 develop Change the default initializer for settings for all cases. Pull #194 07 Aug 2018 11:44AM UTC web-flow travis-ci pending completion  
715 develop Merge pull request #193 from DropD/fix-potcar-cmd fix the potcar command to work with aiida develop push 07 Aug 2018 10:31AM UTC web-flow travis-ci pending completion  
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  • Repo on GitHub
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