Closed JPchico closed 1 year ago
Merging #67 (1305372) into develop (2856834) will increase coverage by
0.97%
. The diff coverage is98.29%
.
@@ Coverage Diff @@
## develop #67 +/- ##
===========================================
+ Coverage 90.24% 91.21% +0.97%
===========================================
Files 32 33 +1
Lines 2439 2652 +213
===========================================
+ Hits 2201 2419 +218
+ Misses 238 233 -5
Flag | Coverage Δ | |
---|---|---|
pytests | 91.21% <98.29%> (+0.97%) |
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Impacted Files | Coverage Δ | |
---|---|---|
aiida_lammps/calculations/lammps/base.py | 97.24% <94.64%> (+1.16%) |
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aiida_lammps/parsers/lammps/lammps_parser.py | 86.66% <96.66%> (+5.00%) |
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aiida_lammps/common/input_generator.py | 87.31% <100.00%> (+2.31%) |
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aiida_lammps/common/raw_parsers.py | 83.33% <100.00%> (+0.13%) |
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aiida_lammps/fixtures/calculations.py | 100.00% <100.00%> (ø) |
|
aiida_lammps/fixtures/inputs.py | 100.00% <100.00%> (ø) |
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ping @chrisjsewell do you think you could review this? I would like to have this merged so that i can work in #63 and #56
Addresses #58, it allows the storage if desired of the restartfile.
Takes care of being able to run the calculation either from a restartfile in the db or from a remote folder.