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Ignoring BA sigma for ignor_state (#197)
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JanosJiri authored Dec 10, 2024

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2 changes: 2 additions & 0 deletions src/surfacehop.F90
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@@ -609,6 +609,8 @@ subroutine calc_baeckan(dt)

do ist1 = 1, nstate
do ist2 = ist1 + 1, nstate
! If ignore_state is set, we do not calculate sigma (dotproduct) for this state
if (ignore_state == ist1 .or. ignore_state == ist2) cycle
de = en_hist_array(ist2, :) - en_hist_array(ist1, :)
! Second derivative (de2dt2) comes from Eq. 16 from https://doi.org/10.12688/openreseurope.13624.2
de2dt2 = (2.0D0 * de(1) - 5.0D0 * de(2) + 4.0D0 * de(3) - de(4)) / dt**2

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