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Last change
on this file since 451d7a was e08f45, checked in by Frederik Heber <heber@…>, 17 years ago |
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Merge branch 'ConcaveHull' of ../espack2 into ConcaveHull
Conflicts:
molecuilder/src/boundary.cpp
molecuilder/src/boundary.hpp
molecuilder/src/builder.cpp
molecuilder/src/linkedcell.cpp
molecuilder/src/linkedcell.hpp
molecuilder/src/vector.cpp
molecuilder/src/vector.hpp
util/src/NanoCreator.c
Basically, this resulted from a lot of conversions two from spaces to one tab, which is my standard indentation. The mess was caused by eclipse auto-indenting. And in espack2:ConcaveHull was the new stuff, so all from ConcaveHull was replaced in case of doubt.
Additionally, vector had ofstream << operator instead ostream << ...
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File size:
925 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 | #define LinkedAtoms list <atom *>
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| 12 |
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| 13 | class LinkedCell{
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| 14 | public:
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| 15 | Vector max; // upper boundary
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| 16 | Vector min; // lower boundary
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| 17 | LinkedAtoms *LC; // linked cell list
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| 18 | double RADIUS; // cell edge length
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| 19 | int N[NDIM]; // number of cells per axis
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| 20 | int n[NDIM]; // temporary variable for current cell per axis
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| 21 | int index; // temporary index variable , access by index = n[0] * N[1] * N[2] + n[1] * N[2] + n[2];
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| 22 |
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| 23 | LinkedCell();
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| 24 | LinkedCell(molecule *mol, double RADIUS);
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| 25 | ~LinkedCell();
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| 26 | LinkedAtoms* GetCurrentCell();
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| 27 | bool SetIndexToAtom(atom *Walker);
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| 28 | bool SetIndexToVector(Vector *x);
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| 29 | bool CheckBounds();
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| 30 |
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| 31 | // not implemented yet
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| 32 | bool AddAtom(atom *Walker);
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| 33 | bool DeleteAtom(atom *Walker);
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| 34 | bool MoveAtom(atom *Walker);
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| 35 | };
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| 36 |
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| 37 | #endif /*LINKEDCELL_HPP_*/
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