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38 |
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namespace oopse { |
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40 |
< |
SimModel::SimModel() : nAtom_(0), nBond_(0), nBend_(0), nTorsion_(0), nRigidBody_(0), |
41 |
< |
nIntegrableObjects_(0), nCutoffGroup_(0), nConstraints_(0), sman_(NULL){ |
40 |
> |
SimModel::SimModel() : nAtoms_(0), nBonds_(0), nBends_(0), nTorsions_(0), nRigidBodies_(0), |
41 |
> |
nIntegrableObjects_(0), nCutoffGroups_(0), nConstraints_(0), sman_(NULL){ |
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43 |
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} |
44 |
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128 |
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} |
129 |
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} |
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131 |
< |
} |
132 |
< |
} |
131 |
> |
}//end for (integrableObject) |
132 |
> |
}// end for (mol) |
133 |
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134 |
< |
// n_constraints is local, so subtract them on each processor: |
135 |
< |
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134 |
> |
// n_constraints is local, so subtract them on each processor |
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ndf_local -= nConstraints_; |
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#ifdef IS_MPI |
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// nZconstraints is global, as are the 3 COM translations for the |
144 |
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// entire system: |
146 |
– |
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145 |
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ndf_ = ndf_ - 3 - nZconstraints; |
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147 |
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} |