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https://github.com/LCPQ/quantum_package
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19 lines
425 B
Forth
19 lines
425 B
Forth
use bitmasks
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BEGIN_SHELL [ /usr/bin/env python ]
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from generate_h_apply import *
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from perturbation import perturbations
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s = H_apply("SC2_selected",SingleRef=True)
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s.set_selection_pt2("epstein_nesbet_sc2_no_projected")
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print s
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s = H_apply("PT2",SingleRef=True)
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s.set_perturbation("epstein_nesbet_sc2_no_projected")
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print s
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s = H_apply("PT2_en_sc2",SingleRef=True)
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s.set_perturbation("epstein_nesbet_sc2")
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print s
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END_SHELL
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