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| subroutine, public | perturbation_oct_m::perturbation_copy (this, source) |
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| subroutine | perturbation_oct_m::perturbation_setup_dir (this, dir, dir2) |
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| subroutine | perturbation_oct_m::perturbation_apply_batch (this, namespace, space, gr, hm, f_in, f_out) |
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| subroutine | perturbation_oct_m::dperturbation_expectation_density (this, namespace, space, gr, hm, st, psia, psib, density, perturbation_order) |
| | This routine includes occupations for psib if perturbation_order == 2, correct if used as \( <\psi(0)|H(2)|\psi(0)> \). It does not include occupations if perturbation_order == 1, correct if used as <psi(0)|H(1)|psi(1)> since the LR wavefunctions include the occupation. This routine must be modified if used differently than these two ways. More...
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| real(real64) function | perturbation_oct_m::dperturbation_expectation_value (this, namespace, space, gr, hm, st, psia, psib, perturbation_order) |
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| real(real64) function | perturbation_oct_m::dperturbation_states_elec_expectation_value (this, namespace, space, gr, hm, st, perturbation_order) |
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| subroutine | perturbation_oct_m::zperturbation_expectation_density (this, namespace, space, gr, hm, st, psia, psib, density, perturbation_order) |
| | This routine includes occupations for psib if perturbation_order == 2, correct if used as \( <\psi(0)|H(2)|\psi(0)> \). It does not include occupations if perturbation_order == 1, correct if used as <psi(0)|H(1)|psi(1)> since the LR wavefunctions include the occupation. This routine must be modified if used differently than these two ways. More...
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| complex(real64) function | perturbation_oct_m::zperturbation_expectation_value (this, namespace, space, gr, hm, st, psia, psib, perturbation_order) |
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| complex(real64) function | perturbation_oct_m::zperturbation_states_elec_expectation_value (this, namespace, space, gr, hm, st, perturbation_order) |
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1.9.4