Constants for Jaguar task names (i.e. panel names)
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SINGLE_POINT_ENERGY = 'Single Point Energy' |
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OPTIMIZATION = 'Optimization' |
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RELAXED_COORD_SCAN = 'Relaxed Coordinate Scan' |
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RIGID_COORD_SCAN = 'Rigid Coordinate Scan' |
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TRANSITION = 'Transition State Search' |
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REACTION_COORD = 'IRC' |
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INIT_GUESS = 'Initial Guess Only' |
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PKA = 'pKa' |
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HBOND = 'HBond' |
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COUNTERPOISE = 'Counterpoise' |
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FUKUI = 'Fukui' |
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REACTION = 'Reaction' |
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__package__ = None
hash(x)
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