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Release v4.1.0#119

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JoseRamosMendez merged 8 commits into
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develop
Feb 27, 2026
Merged

Release v4.1.0#119
JoseRamosMendez merged 8 commits into
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develop

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Release v4.1.0

Jose Ramos-Mendez and others added 8 commits November 21, 2025 07:58
  - ResampleReactantsPosition- potential crash in zero-diffusion cases is fixed. For that, early-return added for D1 == 0 or D2 == 0 prevent divide-by-zero/NaNs.
  - Conversion in background contact reaction is fixed. Concentration is now multiplied by Avogadro*1e-24 at processes/TsIRTConfiguration.cc:817.
  - Fixed a guard for type II/IV diffusion-limit. In ResolveReactionParameters (around lines ~481–497), now sim aborts with a descriptive message when kobs >= kdiff (preventing infinite kact/bad probabilities).
  - Fix missing Avogadro in background product placement, GetBackgroundPositionOfProducts used kobs/(4*pi*2*D1); current code includes * CLHEP::Avogadro and a dummy kobs for negatives (lines ~726–742).
  - Misleading “Re-set charge” in printing logs. At processes/TsIRTConfiguration.cc:101-108, the message prints the radius instead of the charge when overriding Mo/*/Charge.
  - Fix molecule ID when reuse it and counting it. In AddMolecule (~lines 383–393), fLastMoleculeID is set to the provided moleculeID, which can rewind the counter, so we use max of both values so that users can set moleculeID to any number (e.g., 104)
  - GetH2SO4ComponentsConcentrationP out-of-bounds risk is fixed. Previously the loop iterated over map Result and accessesed Result[i+1] without bounds check (~lines 970–975).

	modified:   processes/TsIRT.cc
	modified:   processes/TsIRTConfiguration.cc
  New nomenclature of Geant4-DNA caused incompatiblity in molecule naming, a map to translate
  names was added - There is a time penalty, so this is still under improvement - TODO
  Printing reactions happened multiple times due to double declaration of pointers of TsIRTConfiguration
	modified:   processes/TsEmDNAPhysics.cc
	modified:   processes/TsIRT.cc
	modified:   processes/TsIRT.hh
	modified:   processes/TsIRTConfiguration.cc
	modified:   processes/TsIRTConfiguration.hh
	modified:   processes/TsIRTContinuous.cc
	modified:   processes/TsIRTContinuous.hh
	modified:   processes/TsVIRTProcedure.cc
	modified:   processes/TsIRTConfiguration.cc
	modified:   processes/TsIRTConfiguration.hh
	modified:   processes/TsIRT.cc
	modified:   processes/TsIRTContinuous.cc
	modified:   README.md
	modified:   processes/TsEmDNAPhysics.cc
	modified:   processes/TsEmDNAPhysics.hh
	modified:   processes/TsIRT.cc
	modified:   processes/TsIRTConfiguration.cc
Updated dataset versions for Geant4 EMLOW and ENSDFSTATE in CI workflow.

Signed-off-by: JoseRamosMendez <joserm84@gmail.com>
Signed-off-by: Thongchai Masilela <159175671+tmasilela@users.noreply.github.com>
@JoseRamosMendez JoseRamosMendez merged commit 4c95802 into main Feb 27, 2026
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JoseRamosMendez added a commit that referenced this pull request Feb 27, 2026
Merge pull request #119 from topas-nbio/develop
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2 participants