version 1.1235 | version 1.1236 |
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numAtoms = atom.size(); | numAtoms = atom.size(); |
lattice = checkpoint_lattice; | lattice = checkpoint_lattice; |
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| doAtomUpdate = true; |
| rattleListValid = false; |
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if ( ! numNeighbors ) atomMapper->registerIDsFullAtom(atom.begin(),atom.end()); | if ( ! numNeighbors ) atomMapper->registerIDsFullAtom(atom.begin(),atom.end()); |
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// DMK - Atom Separation (water vs. non-water) | // DMK - Atom Separation (water vs. non-water) |
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numAtoms = msg->numAtoms; | numAtoms = msg->numAtoms; |
atom.resize(numAtoms); | atom.resize(numAtoms); |
memcpy(atom.begin(),msg->atoms,numAtoms*sizeof(FullAtom)); | memcpy(atom.begin(),msg->atoms,numAtoms*sizeof(FullAtom)); |
| doAtomUpdate = true; |
| rattleListValid = false; |
if ( ! numNeighbors ) atomMapper->registerIDsFullAtom(atom.begin(),atom.end()); | if ( ! numNeighbors ) atomMapper->registerIDsFullAtom(atom.begin(),atom.end()); |
} | } |
if ( checkpoint_task == SCRIPT_CHECKPOINT_LOAD ) { | if ( checkpoint_task == SCRIPT_CHECKPOINT_LOAD ) { |
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memcpy(atom.begin(),msg->atoms,numAtoms*sizeof(FullAtom)); | memcpy(atom.begin(),msg->atoms,numAtoms*sizeof(FullAtom)); |
delete msg; | delete msg; |
CkpvAccess(_qd)->process(); | CkpvAccess(_qd)->process(); |
| doAtomUpdate = true; |
| rattleListValid = false; |
if ( ! numNeighbors ) atomMapper->registerIDsFullAtom(atom.begin(),atom.end()); | if ( ! numNeighbors ) atomMapper->registerIDsFullAtom(atom.begin(),atom.end()); |
} | } |
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