Improved restart behaviour #64
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Codecov Report
@@ Coverage Diff @@
## master #64 +/- ##
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+ Coverage 32.79% 39.74% +6.95%
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Files 19 19
Lines 4342 4380 +38
Branches 1137 1144 +7
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+ Hits 1424 1741 +317
+ Misses 2681 2340 -341
- Partials 237 299 +62
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not necessarily passing through ARC.py, so API could use input/restart files
Save the restart path even if scan failed, since this is the criterion to re-running a scan in restart mode
- Flexible figure size: adjust according to the number of species, maintaining a minimum height and a fixed width -long entry description
Since save_project_info_file also updates the long library description needed for processor
to include max_e and invalidation_reason
in terms of logging the invalidation reason and symmetry
to adjast for the additional e_max parameter returned by determine_rotor_symmetry()
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Also improved fig size of thermo parity plots