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Ran 01 Jun 2018 02:15PM UTC

Files 61

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Committed 01 Jun 2018 01:54PM UTC coverage: 54.0% (+4.0%) from 50.048%

Job # DB_PASSWORD=''

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push

travis-ci

Committed by

web-flow

Commit Message

Significant overall module changes to stored data, requirements, documentation, and testing. (#46)

* catkit.hub review

* avoid module overwrite

* create a CODEOWNERS file for delegating responsibility

* bug correction in the documentation and fix of import paths

* patch to Builder to get adsorption sites correct

* SlabGenerator reduces to primitive bulk unit cell first

* Patches to molecule generation / move the default radical (bonding limits) to the defaults.py

* First pass at search algorithem for size creation

* finished first draft of revamped slab generator / passes visual inspections with ASE code, should only require minor tweaks from here

* changed documentation and the index argument in catkit.build.surface

* fix for correct graph indexing / Considerably reduce the size of the package

* Converting all tests to the new unitest format. Cleaning up non-useful tests and creating new ones.

* rebuild the front matter

* spruce up the frontmatter

* monkey patch to allow for org mode generated html

* attempt to remove ugly indentation from dummy rst file

* patch test

* patch to older versions of python

* modify the pawprints example and add testing

* improve testing

* more tests for slab generation

* fixed error in hpcio

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2882 of 5337 relevant lines covered (54.0%)

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SUNCAT-Center / CatKit / 179 / 2 64% master: 64%

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Source Files on job 179.2 (DB_PASSWORD='')

SUNCAT-Center / CatKit / 179 / 2
64%
master: 64%

README BADGES
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