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subroutine | mapping_variables::initialize_pldm_map |
| Allocate the mapping variable arrays for PLDM calculation. More...
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subroutine | mapping_variables::finalize_pldm_map |
| Deallocate the mapping variable arrays for PLDM calculation. More...
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subroutine | mapping_variables::initialize_twa_map |
| Allocate the mapping variable arrays for TWA or SQC calculation. More...
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subroutine | mapping_variables::finalize_twa_map |
| Deallocate the mapping variable arrays for TWA or SQC calculation. More...
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subroutine | mapping_variables::sample_pldm_map (x_init, p_init, xt_init, pt_init) |
| Sample the initial distribution of mapping variables for PLDM from gaussian distributions. More...
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subroutine | mapping_variables::pldm_map_hop (c_f, c_b, x, p, xt, pt, islice) |
| Subroutine that takes the current density matrix and uses it for coefficients in a linear combination of new initial Hermite polynomials. More...
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subroutine | mapping_variables::sample_twa_map (x_init, p_init) |
| Sample the initial distribution of mapping variables for truncated wigner approximation in action-angle variables. More...
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complex(dp) function, dimension(nstate, nstate) | mapping_variables::pldm_redmat (x, p, xt, pt) |
| Calculate the reduced density matrix using PLDM with the mapping variables from the product of "Hermite polynomials". More...
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complex(dp) function, dimension(nstate, nstate) | mapping_variables::twa_redmat (x, p) |
| Calculate the reduced density matrix using TWA with the mapping variables. More...
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subroutine | mapping_variables::verlet_mapping_variables (x, p, H, dt) |
| propagates x and p mapping variables using the Hamiltonian by integrating Hamilton's equations with the Verlet integrator. More...
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