Bug in NeutronDynamicTotalStructureFactor analysis
A factor of 2 is missing when summing the partial components (for i != j terms) to give the total F(Q,t)/S(Q,w). A possible solution is to use this code at the end of the coherent block in the finalize function:
if pair[0] == pair[1]:
self._outputData["f(q,t)_coh_total"][:] += self._outputData["f(q,t)_coh_weighted_%s%s" % pair][:]
self._outputData["s(q,f)_coh_total"][:] += self._outputData["s(q,f)_coh_weighted_%s%s" % pair][:]
else:
self._outputData["f(q,t)_coh_total"][:] += 2*self._outputData["f(q,t)_coh_weighted_%s%s" % pair][:]
self._outputData["s(q,f)_coh_total"][:] += 2*self._outputData["s(q,f)_coh_weighted_%s%s" % pair][:]