Fix g calc type 1 #1228
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Fix g calc type 1 #1228
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First change: ------------ Calculation type 1 did not incorporate the changes implemented in 2017 to remove kerma calculation dependency to transport and production thresholds ECUT and AE, as well as the inclusion of electron impact ionization in the mutr calculation step. As a consequence, muen and mutr values calculated with either calculation type do not match. The reason for the mismatch being that there is no distinction of the energy deposited by sub-threshold events between Auger electrons and fluorescent photons, with the first being part of kerma while the second not. This fix corrects this by mainly adding AUSGAB calls before and after the routines for photo-effect, Compton scattering and pair production. Notably, current NIST muen values are only matched without this fix, suggesting that there might be a need to update those values. Second change: ------------- Add option to reproduce NIST values by setting input key below to 'no' CLASSIFY SUB-THRESHOLD RELAXATIONS = NO in which case no calls to AUSGAB are made during photon interactions in the mutr-calculating step of a type 1 calculation. MOreover, for type 0 calculations a check is performed in ausgab to apply or not the classification schema or not, based on the value of the logical variable classify_sub_threshold_relaxations. Default set to `yes`.
The option to select whether to process the Latex document into a pdf was mistakenly searching for `eq=` rather than `latex=`
Reflect latest changes: - Bug fix: harmonizing calculation types 0 and 1 by incorporating 2017 refinements to type 1. - Describe option to reproduce NIST values
Since available for calculation types 0 and 1.
ftessier
reviewed
Dec 2, 2024
| IF (classify_sub_threshold_relaxations)[ | ||
| $AUSCALL($PAIRAUSB); | ||
| ] | ||
| call pair; |
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Reduce indentation for call pair;
ftessier
reviewed
Dec 2, 2024
| @@ -887,7 +911,7 @@ DO icase=1,ncase [ | |||
| erad_tmp = 0.0; "loses just to annihilation" | |||
| "initialize etot_tmp differently for photons and electrons" | |||
| IF( iqin .ne. 0 ) [ etot_tmp = (ein - rm); ] | |||
| ELSE [ etot_tmp = 0; ] | |||
| ELSE [ etot_tmp = 0; ] | |||
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It is best to avoid if-else one-liner statements.
ftessier
reviewed
Dec 2, 2024
| allowed_inputs(ival,0) = 'NO'; | ||
| allowed_inputs(ival,1) = 'YES'; | ||
| $GET_INPUT(IVAL); | ||
| IF( error_flag = 0 ) [ |
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Ideally, we would harmonize the IF bracketing style. My perspective is that we ought to settle on conditional branch style with spaces around (...) (no spaces inside the brackets, and one space before the opening [
IF (...) [
...
]
ELSE (...) [
...
]
ftessier
approved these changes
Dec 2, 2024
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First change
Calculation type1 did not incorporate the changes implemented in 2017 to remove kerma calculation dependency to transport and production thresholdsECUTandAE, as well as the inclusion of electron impact ionization in theAs a result, the$\mu_\mathrm{en}$ and $\mu_\mathrm{tr}$ values calculated using either calculation type do not agree. The mismatch arises from the lack of distinction of the energy deposited by subthreshold events between Auger electrons, which contribute to kerma, and fluorescent photons, which do not.
This issue is addressed by introducing additional AUSGAB calls before and after the routines handling photoelectric effect, Compton scattering, and pair production for type 1 calculations. For type 0 calculations a check is performed in ausgab to apply or not the classification schema, based on the value of the logical variable
classify_sub_threshold_relaxations.Note: Reproducing current NIST$\mu_\mathrm{en}$ values is only possible when this fix is excluded, indicating that the NIST database may need an update to reflect these corrections.
Second change:
Add option to reproduce NIST values by setting input key below to
noDefault set to
yes. Input key is NOTcase-sensitive!Documentation
IRS report pirs-3100 (The EGSnrc g application ) has been correspondingly updated. Although not online!