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Commit a8a38216 authored by Jc112358's avatar Jc112358
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added old tangent to fix_neb for AGNI potential

parent 7e78738c
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......@@ -425,10 +425,14 @@ 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 {
} 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
tangent[i][0] = delxn + delxp;
tangent[i][1] = delyn + delyp;
tangent[i][2] = delzn + delzp;
}
}
......
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