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Read ORCA coordinate sets #1808

Merged
merged 6 commits into from
Nov 22, 2024

Merge branch 'master' into add-orca-coord-sets

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Merged

Read ORCA coordinate sets #1808

Merge branch 'master' into add-orca-coord-sets
dc25b47
Select commit
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Failed to load commit list.
Codacy Production / Codacy Static Code Analysis succeeded Nov 22, 2024 in 0s

Your pull request is up to standards!

Codacy found no issues in your code

Annotations

Check notice on line 64 in avogadro/quantumio/orca.h

See this annotation in the file changed.

@codacy-production codacy-production / Codacy Static Code Analysis

avogadro/quantumio/orca.h#L64

class member 'ORCAOutput::m_coordSets' is never used.

Check notice on line 65 in avogadro/quantumio/orca.h

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@codacy-production codacy-production / Codacy Static Code Analysis

avogadro/quantumio/orca.h#L65

class member 'ORCAOutput::m_energies' is never used.

Check notice on line 108 in avogadro/quantumio/orca.h

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@codacy-production codacy-production / Codacy Static Code Analysis

avogadro/quantumio/orca.h#L108

class member 'ORCAOutput::m_totalEnergy' is never used.