Fix job types #139
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Fix job types #139
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When directly specifying xyz in an ARCSpecies object, the conformer list is updated. If the user did not ask for conformers to be spawned, ARC will skip conformer generation. This commit allow ARC to directly execute the requested job (e.g., freq / sp), because sometimes the user asks not to spawn opt at all.
Codecov Report
@@ Coverage Diff @@
## master #139 +/- ##
==========================================
- Coverage 41.63% 41.48% -0.15%
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Files 23 23
Lines 5824 5845 +21
Branches 1540 1551 +11
==========================================
Hits 2425 2425
- Misses 3027 3046 +19
- Partials 372 374 +2
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Consider the requested job types for species already defined with xyz.
BugFix: don't run sp jobs after a converged restarted composite job (addresses #138)