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Last change
on this file since 4aef8a was 95183e, checked in by Frederik Heber <heber@…>, 17 years ago |
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New file and class LinkedCell that contains the linked cell algorithms
Linked Cell class with
- max,min vectors, list of cells, number of cells per axis
- n is temporary indices to access a specific cell
- functions to get pointer to cell specified by vector or by atom and checking bounds
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Property mode
set to
100644
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File size:
822 bytes
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| 1 | #ifndef LINKEDCELL_HPP_
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| 2 | #define LINKEDCELL_HPP_
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| 3 |
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| 4 | // include config.h
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| 5 | #ifdef HAVE_CONFIG_H
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| 6 | #include <config.h>
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| 7 | #endif
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| 8 |
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| 9 | #include "molecules.hpp"
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| 10 |
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| 11 | class LinkedCell{
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| 12 | public:
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| 13 | Vector max; // upper boundary
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| 14 | Vector min; // lower boundary
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| 15 | LinkedAtoms *LC; // linked cell list
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| 16 | double RADIUS; // cell edge length
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| 17 | int N[NDIM]; // number of cells per axis
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| 18 | int n[NDIM]; // temporary variable for current cell per axis
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| 19 | int index; // temporary index variable , access by index = n[0] * N[1] * N[2] + n[1] * N[2] + n[2];
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| 20 |
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| 21 | LinkedCell();
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| 22 | LinkedCell(molecule *mol, double RADIUS);
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| 23 | ~LinkedCell();
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| 24 | LinkedAtoms* GetCurrentCell();
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| 25 | bool SetIndexToAtom(atom *Walker);
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| 26 | bool SetIndexToVector(Vector *x);
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| 27 | bool CheckBounds();
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| 28 | };
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| 29 |
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| 30 | #endif /*LINKEDCELL_HPP_*/
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