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discre effective temperature calculation #6

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ameliajo opened this issue Dec 2, 2017 · 0 comments
Open

discre effective temperature calculation #6

ameliajo opened this issue Dec 2, 2017 · 0 comments

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@ameliajo
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ameliajo commented Dec 2, 2017

discre may (?) be calculating effective temperature wrong? In the original source code it's line it's around line 1343 that dist(i) is defined to be

weight * ( beta / 2 ) * coth ( normalized_beta / 2 )

(this code is presently in my discre-->discre_util-->oscLoopFuncs.h)
But according to Eq. 544 I think this should rather be

weight * ( normalized_beta / 2 ) * coth ( normalized_beta / 2 ) or
weight * ( beta / 2 ) * coth ( beta / 2 )

meaning that legacy line 1343 should likely have bdeln(i) instead of bdel(i)

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