Changeset 8bbe43 for molecuilder/src/linkedcell.cpp
- Timestamp:
- Jul 9, 2009, 12:02:46 PM (16 years ago)
- Children:
- a8c8ba
- Parents:
- 438506
- File:
-
- 1 edited
Legend:
- Unmodified
- Added
- Removed
-
molecuilder/src/linkedcell.cpp
r438506 r8bbe43 59 59 60 60 // 3. allocate the lists 61 cout << Verbose(2) << "Allocating cells ... " << endl;61 cout << Verbose(2) << "Allocating cells ... "; 62 62 if (LC != NULL) { 63 63 cout << Verbose(1) << "ERROR: Linked Cell list is already allocated, I do nothing." << endl; … … 68 68 LC [index].clear(); 69 69 } 70 cout << "done." << endl; 70 71 71 72 // 4. put each atom into its respective cell 73 cout << Verbose(2) << "Filling cells ... "; 72 74 Walker = mol->start; 73 75 while (Walker->next != mol->end) { … … 78 80 index = n[0] * N[1] * N[2] + n[1] * N[2] + n[2]; 79 81 LC[index].push_back(Walker); 80 cout << Verbose(2) << *Walker << " goes into cell " << n[0] << ", " << n[1] << ", " << n[2] << " with No. " << index << "." << endl;82 //cout << Verbose(2) << *Walker << " goes into cell " << n[0] << ", " << n[1] << ", " << n[2] << " with No. " << index << "." << endl; 81 83 } 84 cout << "done." << endl; 82 85 cout << Verbose(1) << "End of LinkedCell" << endl; 83 86 };
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