New forcefield framework #1370
New forcefield framework #1370
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Check notice on line 121 in avogadro/calc/energycalculator.h
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avogadro/calc/energycalculator.h#L121
class member 'EnergyCalculator::m_error' is never used.
Check notice on line 33 in avogadro/calc/energymanager.cpp
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avogadro/calc/energymanager.cpp#L33
Return value 'instance().removeModel(identifier)' is always true
Check notice on line 133 in avogadro/calc/energymanager.h
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avogadro/calc/energymanager.h#L133
class member 'EnergyManager::m_models' is never used.
Check notice on line 134 in avogadro/calc/energymanager.h
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avogadro/calc/energymanager.h#L134
class member 'EnergyManager::m_identifiers' is never used.
Check notice on line 135 in avogadro/calc/energymanager.h
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avogadro/calc/energymanager.h#L135
class member 'EnergyManager::m_identifierToName' is never used.
Check notice on line 137 in avogadro/calc/energymanager.h
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avogadro/calc/energymanager.h#L137
class member 'EnergyManager::m_error' is never used.
Check notice on line 51 in avogadro/calc/lennardjones.h
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avogadro/calc/lennardjones.h#L51
class member 'LennardJones::m_molecule' is never used.
Check notice on line 52 in avogadro/calc/lennardjones.h
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avogadro/calc/lennardjones.h#L52
class member 'LennardJones::m_cell' is never used.
Check notice on line 54 in avogadro/calc/lennardjones.h
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avogadro/calc/lennardjones.h#L54
class member 'LennardJones::m_vdw' is never used.
Check notice on line 56 in avogadro/calc/lennardjones.h
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avogadro/calc/lennardjones.h#L56
class member 'LennardJones::m_exponent' is never used.
Check notice on line 48 in avogadro/qtplugins/forcefield/obmmenergy.h
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avogadro/qtplugins/forcefield/obmmenergy.h#L48
Class 'OBMMEnergy' has a constructor with 1 argument that is not explicit.
Check notice on line 79 in avogadro/qtplugins/forcefield/obmmenergy.h
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avogadro/qtplugins/forcefield/obmmenergy.h#L79
class member 'OBMMEnergy::m_molecule' is never used.
Check notice on line 80 in avogadro/qtplugins/forcefield/obmmenergy.h
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avogadro/qtplugins/forcefield/obmmenergy.h#L80
class member 'OBMMEnergy::m_inputFormat' is never used.
Check notice on line 81 in avogadro/qtplugins/forcefield/obmmenergy.h
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avogadro/qtplugins/forcefield/obmmenergy.h#L81
class member 'OBMMEnergy::m_process' is never used.
Check notice on line 47 in avogadro/qtplugins/forcefield/scriptenergy.h
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avogadro/qtplugins/forcefield/scriptenergy.h#L47
Class 'ScriptEnergy' has a constructor with 1 argument that is not explicit.
Check notice on line 85 in avogadro/qtplugins/forcefield/scriptenergy.h
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avogadro/qtplugins/forcefield/scriptenergy.h#L85
class member 'ScriptEnergy::m_interpreter' is never used.
Check notice on line 87 in avogadro/qtplugins/forcefield/scriptenergy.h
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avogadro/qtplugins/forcefield/scriptenergy.h#L87
class member 'ScriptEnergy::m_molecule' is never used.
Check notice on line 60 in avogadro/qtplugins/forcefield/scripts/gfnff.py
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avogadro/qtplugins/forcefield/scripts/gfnff.py#L60
Trailing whitespace