version 1.28 | version 1.29 |
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// must delete the forces applied at the previous step: we can do | // must delete the forces applied at the previous step: we can do |
// that because they have already been used and copied to other | // that because they have already been used and copied to other |
// memory locations | // memory locations |
modifyForcedAtoms().resize(0); | modifyForcedAtoms().clear(); |
modifyAppliedForces().resize(0); | modifyAppliedForces().clear(); |
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// prepare local arrays | // prepare local arrays |
for (size_t i = 0; i < atoms_ids.size(); i++) { | for (size_t i = 0; i < atoms_ids.size(); i++) { |