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master: 64%

Ran 07 Sep 2018 04:00AM UTC

Files 66

Run time 5s

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Committed 07 Sep 2018 03:57AM UTC coverage: 67.009% (+0.8%) from 66.258%

Job # DB_PASSWORD=''

Build Type

push

travis-ci

Committed by

web-flow

Commit Message

Major CatFlow development (#68)

* Streamlining catlow / better integration with the 3.16 ASE implementation for QE

* further modifications to catflow

* modifications to the adsorption site finder

* corrections to the surface generation for size generator

* update to documentation to make it consistent with the org file

* corrections to lomg bidentate cahins

* move exsite from Builder to AdsorptionSite class / make the surface search larger by 1 dimension in xy

* merge to master

* proper magnetic moments handling

* proper constraint preservation

* add a helper class to catflow

* major revamp of catflow, removed many deprecated functions for ase-espresso support

* simplified the defaults cutoff name to radii / added a rc option to prioritze orthogonoalization over equidistance

* remove projection by default / causing too mnay difficult to debug exceptions

* reformat the requirements

* patching some adsorption 3D estimations

* make pip installation functional again

* clean up the travis file

Coverage Stats

3782 of 5644 relevant lines covered (67.01%)

0.67 hits per line

SUNCAT-Center / CatKit / 272 / 3
64%
master: 64%

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Source Files on job 272.3 (DB_PASSWORD='')

SUNCAT-Center / CatKit / 272 / 3 64% master: 64%

README BADGES x

Markdown

Textile

RDoc

HTML

Rst

Source Files on job 272.3 (DB_PASSWORD='')

SUNCAT-Center / CatKit / 272 / 3
64%
master: 64%

README BADGES
x