Contains procedures used in reading data (K-matrices and namelist data)
Reads in a K-matrix from a file with a very particular file format given by kmat_output_type
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| character(len=*), | intent(in) | :: | kmat_dir |
Directory in which the files containing the K-matrices |
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| character(len=*), | intent(in) | :: | channels_dir |
Directory in which the channel data are located |
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| character(len=*), | intent(in) | :: | point_group |
The point group of the calculations |
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| integer, | intent(in) | :: | spinmult |
The spin multiplicity (2S+1) of the system (target + e⁻) |
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| integer, | intent(in) | :: | kmat_lmax |
The max value of l in the electronic partial wave basis |
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| real(kind=dp), | intent(out), | allocatable | :: | Kmat(:,:) |
K(i, j) |
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| type(elec_channel_type), | intent(out), | allocatable | :: | elec_channels(:) |
The channel basis of the K-matrix: (the code calls λ ) |
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| character(len=1), | intent(in) | :: | channel_E_units |
The units of the channel energies in the Kmat file. Options are : - "r" for Rydberg, "h" for hartree, "e" for eV |
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| character(len=1), | intent(in) | :: | kmat_eval_E_units |
The units of the energy at which the K-matrix was evaluated in the Kmat file. Options are : - "h" for hartree - "e" for eV - "r" for Rydberg |
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| character(len=*), | intent(in) | :: | kmat_output_type |
The kind of K-matrix output to read |
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| real(kind=dp), | intent(in) | :: | kmat_e_closest |
Evaluate the K-matrix that is closest to this energy |
Reads user parameters and puts them into the config derived type Contains parameters and values that are necessary to run the program
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| type(config_type), | intent(out) | :: | cfg |