Changeset 17b3a5c for molecuilder/src/boundary.cpp
- Timestamp:
- Oct 9, 2009, 10:54:52 AM (16 years ago)
- Children:
- 3efb4a
- Parents:
- 70b7aa
- File:
-
- 1 edited
-
molecuilder/src/boundary.cpp (modified) (3 diffs)
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molecuilder/src/boundary.cpp
r70b7aa r17b3a5c 1 /** \file boundary. hpp1 /** \file boundary.cpp 2 2 * 3 3 * Implementations and super-function for envelopes 4 4 */ 5 5 6 6 #include "atom.hpp" 7 #include "bond.hpp" 7 8 #include "boundary.hpp" 9 #include "config.hpp" 10 #include "element.hpp" 11 #include "helpers.hpp" 12 #include "linkedcell.hpp" 8 13 #include "memoryallocator.hpp" 14 #include "molecule.hpp" 15 #include "tesselation.hpp" 16 #include "tesselationhelpers.hpp" 9 17 10 18 #include<gsl/gsl_poly.h> … … 21 29 * \return NDIM array of the diameters 22 30 */ 23 double * 24 GetDiametersOfCluster(ofstream *out, Boundaries *BoundaryPtr, molecule *mol, 25 bool IsAngstroem) 31 double *GetDiametersOfCluster(ofstream *out, Boundaries *BoundaryPtr, molecule *mol, bool IsAngstroem) 26 32 { 27 33 // get points on boundary of NULL was given as parameter … … 822 828 int N[NDIM]; 823 829 int n[NDIM]; 824 double *M = filler->ReturnFullMatrixforSymmetric(filler->cell_size);830 double *M = ReturnFullMatrixforSymmetric(filler->cell_size); 825 831 double Rotations[NDIM*NDIM]; 826 832 Vector AtomTranslations;
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