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Clarify the comment as to why this else branch was added and what this represents.
This commit is contained in:
Axel Kohlmeyer
2018-02-21 10:04:13 +01:00
committed by GitHub
parent a8a38216ae
commit a672874186
1 changed files with 2 additions and 2 deletions
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4
src/REPLICA/fix_neb.cpp
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@ -425,11 +425,11 @@ void FixNEB::min_post_force(int vflag)
tangent[i][0] = vmax*delxn + vmin*delxp;
tangent[i][1] = vmax*delyn + vmin*delyp;
tangent[i][2] = vmax*delzn + vmin*delzp;
} else if(vnext < vprev) {
} else if (vnext < vprev) {
tangent[i][0] = vmin*delxn + vmax*delxp;
tangent[i][1] = vmin*delyn + vmax*delyp;
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][1] = delyn + delyp;
tangent[i][2] = delzn + delzp;