Removal of unused functions/classes/methods#
The following has been removed:
function/class/method |
purpose/source |
Action |
|---|---|---|
qse/constraints.py [all] |
||
qse/calc/messages.py [all] |
||
qse.calc.calculator.compare_qbits |
ASE |
Remove |
qse.calc.calculator.equal |
ASE |
Remove |
qse.calc.calculator.Parameters |
||
qse.calc.calculator.Calculator.get_default_parameters |
sounds redundant |
Remove |
qse.calc.calculator.Calculator.reset |
Can be used |
Repurpose |
qse.calc.calculator.Calculator.read |
Can be used |
Repurpose |
qse.calc.calculator.Calculator.get_qbits |
||
qse.calc.calculator.Calculator.read_qbits |
||
qse.calc.calculator.Calculator.set |
||
qse.calc.calculator.Calculator.check_state |
||
qse.calc.calculator.Calculator.get_energy |
||
qse.calc.calculator.Calculator.get_property |
||
qse.calc.calculator.Calculator.calculation_required |
||
qse.calc.calculator.Calculator.export_properties |
||
qse.calc.calculator.FileIOCalculator |
||
qse.qbits.celldisp |
||
qse.qbits.Qbits.set_constraint |
||
qse.qbits.Qbits.constraint |
||
qse.qbits.Qbits.set_celldisp |
||
qse.qbits.Qbits.get_celldisp |
||
qse.qbits.Qbits.get_cell_lengths_and_angles |
||
qse.qbits.Qbits.get_reciprocal_cell |
||
qse.qbits.Qbits.pbc |
||
qse.qbits.Qbits.get_properties |
||
qse.qbits.Qbits.center_in_unit_cell |
||
qse.qbits.Qbits.get_dihedral |
||
qse.qbits.Qbits.get_dihedrals |
||
qse.qbits.Qbits.set_dihedral |
||
qse.qbits.Qbits.rotate_dihedral |
||
qse.qbits.Qbits.get_scaled_positions |
||
qse.qbits.Qbits.wrap |