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aiida-crystal17
A plugin for AiiDA, to run the CRYSTAL17 code
https://aiida-crystal17.readthedocs.io
GNU Lesser General Public License v3.0
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Update Properties calculations/workflow and add ECH3
#24
Closed
chrisjsewell
closed
4 years ago
coveralls
commented
4 years ago
Pull Request Test Coverage Report for
Build 755
1116
of
1222
(91.33%)
changed or added relevant lines in
35
files are covered.
6
unchanged lines in
2
files lost coverage.
Overall coverage increased (+
0.5%
) to
87.994%
Changes Missing Coverage
Covered Lines
Changed/Added Lines
%
aiida_crystal17/calculations/prop_doss.py
29
30
96.67%
aiida_crystal17/parsers/raw/crystal_fort25.py
9
10
90.0%
aiida_crystal17/tests/utils.py
8
9
88.89%
aiida_crystal17/data/gcube.py
98
100
98.0%
aiida_crystal17/parsers/raw/crystal_fort9.py
17
19
89.47%
aiida_crystal17/parsers/raw/gaussian_cube.py
36
38
94.74%
aiida_crystal17/common/parsing.py
4
7
57.14%
aiida_crystal17/parsers/cry_doss.py
52
56
92.86%
aiida_crystal17/parsers/raw/gcube_to_vesta.py
81
85
95.29%
aiida_crystal17/parsers/cry_newk.py
40
45
88.89%
<!--
Total:
1116
1222
91.33%
-->
Files with Coverage Reduction
New Missed Lines
%
aiida_crystal17/data/basis_set.py
1
85.44%
aiida_crystal17/tests/utils.py
5
85.64%
<!--
Total:
6
-->
Totals
Change from base
Build 729
:
0.5%
Covered Lines:
7102
Relevant Lines:
8071
💛 -
Coveralls
Pull Request Test Coverage Report for Build 755
💛 - Coveralls