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Correct the scaling factor in StaticStructureFactor
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MBartkowiakSTFC committed Jan 23, 2025
1 parent dd0f904 commit 23c3082
Showing 1 changed file with 1 addition and 1 deletion.
2 changes: 1 addition & 1 deletion MDANSE/Src/MDANSE/Framework/Jobs/StaticStructureFactor.py
Original file line number Diff line number Diff line change
Expand Up @@ -177,7 +177,7 @@ def finalize(self):
self.hIntra[idi, idj] += self.hIntra[idj, idi]
self.hInter[idi, idj] += self.hInter[idj, idi]

fact = nij * nFrames * shellVolumes
fact = 2 * nij * nFrames * shellVolumes

pdfIntra = self.hIntra[idi, idj, :] / fact
pdfInter = self.hInter[idi, idj, :] / fact
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