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Fix seg fault for gyration collective variable

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This commit is contained in:
Giacomo Fiorin
2016-12-27 13:17:02 -05:00
parent 7a45c72b97
commit 6ab716164b
1 changed files with 1 additions and 0 deletions
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lib/colvars/colvarcomp_distances.cpp
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@ -621,6 +621,7 @@ colvar::gyration::gyration(std::string const &conf)
} else { } else {
atoms->b_center = true; atoms->b_center = true;
atoms->ref_pos.assign(1, cvm::atom_pos(0.0, 0.0, 0.0)); atoms->ref_pos.assign(1, cvm::atom_pos(0.0, 0.0, 0.0));
atoms->fit_gradients.assign(atoms->size(), cvm::rvector(0.0, 0.0, 0.0));
} }
x.type(colvarvalue::type_scalar); x.type(colvarvalue::type_scalar);