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Remove periodic metrics for distanceVec (undocumented and broken)
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giacomofiorin committed Dec 1, 2023
1 parent 69e0af1 commit df3812e
Showing 1 changed file with 3 additions and 3 deletions.
6 changes: 3 additions & 3 deletions src/colvarcomp_distances.cpp
Original file line number Diff line number Diff line change
Expand Up @@ -128,21 +128,21 @@ void colvar::distance_vec::apply_force(colvarvalue const &force)
cvm::real colvar::distance_vec::dist2(colvarvalue const &x1,
colvarvalue const &x2) const
{
return (cvm::position_distance(x1.rvector_value, x2.rvector_value)).norm2();
return (x1.rvector_value - x2.rvector_value).norm2();
}


colvarvalue colvar::distance_vec::dist2_lgrad(colvarvalue const &x1,
colvarvalue const &x2) const
{
return 2.0 * cvm::position_distance(x2.rvector_value, x1.rvector_value);
return 2.0 * (x2.rvector_value - x1.rvector_value);
}


colvarvalue colvar::distance_vec::dist2_rgrad(colvarvalue const &x1,
colvarvalue const &x2) const
{
return 2.0 * cvm::position_distance(x2.rvector_value, x1.rvector_value);
return distance_vec::dist2_lgrad(x2, x1);
}


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