aiidaplugins / aiida-crystal17

A plugin for AiiDA, to run the CRYSTAL17 code
https://aiida-crystal17.readthedocs.io
GNU Lesser General Public License v3.0
5 stars 4 forks source link

Add GULP calculations #4

Closed chrisjsewell closed 5 years ago

chrisjsewell commented 5 years ago
coveralls commented 5 years ago

Pull Request Test Coverage Report for Build 415


Changes Missing Coverage Covered Lines Changed/Added Lines %
aiida_crystal17/calculations/cry_main.py 4 5 80.0%
aiida_crystal17/graph.py 0 1 0.0%
aiida_crystal17/gulp/calculations/gulp_abstract.py 44 45 97.78%
aiida_crystal17/gulp/parsers/tests/test_parse_main.py 59 60 98.33%
aiida_crystal17/tests/mock_runcry17.py 5 6 83.33%
aiida_crystal17/gulp/calculations/tests/test_gulp_single_opt.py 41 44 93.18%
aiida_crystal17/gulp/potentials/base.py 9 12 75.0%
aiida_crystal17/immigration/create_calcjob.py 45 49 91.84%
aiida_crystal17/gulp/potentials/lj.py 26 31 83.87%
aiida_crystal17/tests/mock_gulp.py 28 35 80.0%
<!-- Total: 1296 1501 86.34% -->
Files with Coverage Reduction New Missed Lines %
aiida_crystal17/parsers/main_out.py 6 85.25%
<!-- Total: 6 -->
Totals Coverage Status
Change from base Build 375: 4.05%
Covered Lines: 3265
Relevant Lines: 3933

💛 - Coveralls