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Unverified Commit a6728741 authored by Axel Kohlmeyer's avatar Axel Kohlmeyer Committed by GitHub
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Clarify the comment as to why this else branch was added and what this represents.
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...@@ -425,11 +425,11 @@ void FixNEB::min_post_force(int vflag) ...@@ -425,11 +425,11 @@ void FixNEB::min_post_force(int vflag)
tangent[i][0] = vmax*delxn + vmin*delxp; tangent[i][0] = vmax*delxn + vmin*delxp;
tangent[i][1] = vmax*delyn + vmin*delyp; tangent[i][1] = vmax*delyn + vmin*delyp;
tangent[i][2] = vmax*delzn + vmin*delzp; tangent[i][2] = vmax*delzn + vmin*delzp;
} else if(vnext < vprev) { } else if (vnext < vprev) {
tangent[i][0] = vmin*delxn + vmax*delxp; tangent[i][0] = vmin*delxn + vmax*delxp;
tangent[i][1] = vmin*delyn + vmax*delyp; tangent[i][1] = vmin*delyn + vmax*delyp;
tangent[i][2] = vmin*delzn + vmax*delzp; tangent[i][2] = vmin*delzn + vmax*delzp;
} else { //AGNI "old-tangent" method } else { // vnext == vprev, e.g. for potentials that do not compute an energy
tangent[i][0] = delxn + delxp; tangent[i][0] = delxn + delxp;
tangent[i][1] = delyn + delyp; tangent[i][1] = delyn + delyp;
tangent[i][2] = delzn + delzp; tangent[i][2] = delzn + delzp;
......
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