Procedures for writing data to disk
Writes the states involved in the excitation and their lifetimes
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| character(len=*), | intent(in) | :: | output_directory |
The directory in which output files are placed |
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| integer, | intent(in) | :: | N_min |
Minimum and maximum value of N for which lifetimes were evaluated |
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| integer, | intent(in) | :: | N_max |
Minimum and maximum value of N for which lifetimes were evaluated |
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| type(N_states_type), | intent(in) | :: | N_states(:) | |||
| character(len=1), | intent(in) | :: | zaxis |
The array of states |
Writes a Coulomb-Born cross section to a file whos name and file header carry information about the state symmetry
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| character(len=*), | intent(in) | :: | prefix |
filename prefix |
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| character(len=*), | intent(in) | :: | output_directory |
The directory in which output files are placed |
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| character(len=1), | intent(in) | :: | zaxis |
The A, B, or C axis that lies along z |
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| real(kind=dp), | intent(in) | :: | E_el(:) |
the scattering eneries in au |
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| real(kind=dp), | intent(in) | :: | xs(:) |
The excitation cross sections |
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| type(asymtop_rot_channel_type), | intent(in) | :: | init |
Initial and final states for this transition |
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| type(asymtop_rot_channel_type), | intent(in) | :: | fin |
Initial and final states for this transition |
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| character(len=*), | intent(in) | :: | lmax |
The max value of l for the CB cross sections ("inf" if total) |
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| character(len=*), | intent(in), | optional | :: | xs_type |
The kind of cross section that this is |
Writes an S-matrix (+CB) cross section to a file whos name and file header carry information about the state symmetry
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| character(len=*), | intent(in) | :: | prefix |
filename prefix |
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| character(len=*), | intent(in) | :: | output_directory |
The directory in which output files are placed |
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| character(len=1), | intent(in) | :: | zaxis |
The A, B, or C axis that lies along z |
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| real(kind=dp), | intent(in) | :: | egrid_total(:) |
The grid of total energies in au |
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| type(asymtop_rot_transition_type), | intent(in) | :: | transition |
The transition (excitation pair) to be consdered |
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| real(kind=dp), | intent(in) | :: | exxs(:) |
Array of excitation cross sections for this/all spin multiplicities |
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| real(kind=dp), | intent(in) | :: | dexxs(:) |
Array of de-excitation cross sections for all spin multiplicities |
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| integer, | intent(in) | :: | lmax |
The max value of l for the K-matrices |
Write the total cross-sections (S-matrix + CB correction) to disk for a single transition
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| character(len=*), | intent(in) | :: | prefix |
filename prefix |
||
| character(len=*), | intent(in) | :: | output_directory |
The directory in which output files are placed |
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| character(len=1), | intent(in) | :: | zaxis |
The A, B, or C axis that lies along z |
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| real(kind=dp), | intent(in) | :: | Eel_ex(:) |
The excitation electron energy grid in au |
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| real(kind=dp), | intent(in) | :: | Eel_dex(:) |
The de-excitation electron energy grid in au |
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| type(asymtop_rot_transition_type), | intent(in) | :: | transition |
The transition to write to file |
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| real(kind=dp), | intent(in) | :: | xs_xcite(:) |
Array of arrays of excitation cross sections for all spin multiplicities |
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| real(kind=dp), | intent(in) | :: | xs_dxcite(:) |
Array of arrays of de-excitation cross sections for all spin multiplicities |
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| integer, | intent(in) | :: | lmax |
The max value of l for the K/S-matrices |
Write rotational channel info to file
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| character(len=*), | intent(in) | :: | filename |
File to which we write channels |
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| integer, | intent(in) | :: | jmin |
Total angular momentum mim/max |
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| integer, | intent(in) | :: | jmax |
Total angular momentum mim/max |
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| type(N_states_type), | intent(in) | :: | n_states(:) | |||
| type(asymtop_rot_channel_l_type), | intent(in) | :: | channels_l(:) |
Rotational channels |
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| type(asymtop_rot_channel_l_vector_type), | intent(in) | :: | channels_l_j(jmin:jmax) |
Rotational channels for each J |
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| integer, | intent(in) | :: | spin_isomer_kind |
Kind of nuclear spin to preserve |
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| character(len=1), | intent(in) | :: | symaxis |
Symmetry axis for nuclear spin |