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testing-framework
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vacancy test (and others?) use wrong bulk structure for low symmetry lattices
#18
bernstei
opened
2 years ago
0
actual fix k-point mesh when calculating elastic constants in lattice.py
#17
bernstei
closed
2 years ago
1
Skip extraneous files in models/ and tests/ directories when getting relevant data in analyze_utils.py
#16
bernstei
closed
2 years ago
0
Update Dockerfile
#15
jameskermode
closed
3 years ago
0
Readme 'running tests' example fails
#14
Sideboard
opened
3 years ago
5
Resolves #12: Formatting with black
#13
LarsSchaaf
opened
3 years ago
0
Formatting python code
#12
LarsSchaaf
opened
3 years ago
0
Resolves #10 : Making testing-framework module
#11
LarsSchaaf
opened
3 years ago
7
Making testing-framework module
#10
LarsSchaaf
opened
3 years ago
4
deterministic order of elements in formula units
#9
stenczelt
closed
3 years ago
1
multi-component systems produce two plots of bulks: AB and BA, in a non-deterministic manner
#8
stenczelt
opened
3 years ago
0
`run_all.py` script fails default args if `HOSTNAME` not in env
#7
stenczelt
closed
3 years ago
4
Add Dockerfile and demo notebook for Binder
#6
jameskermode
closed
3 years ago
0
Add more point defects, and some other enhancements
#5
bernstei
closed
3 years ago
1
more point defect tests
#4
bernstei
closed
3 years ago
0
multiple test sets
#3
bernstei
closed
3 years ago
4
Update for extxyz io
#2
bernstei
closed
4 years ago
1
protect shell commands from shell-interpretable characters and spaces in filenames
#1
gabor1
closed
3 years ago
2