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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14347 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2015-12-10 16:55:37 +00:00
parent 807e00de93
commit 86a4507b00
3 changed files with 232 additions and 31 deletions
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12
src/compute_chunk_atom.h
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@ -56,6 +56,8 @@ class ComputeChunkAtom : public Compute {
int argindex;
char *cfvid;
// xyz spatial bins
int ndim;
int dim[3],originflag[3],nlayers[3];
int minflag[3],maxflag[3];
@ -63,6 +65,12 @@ class ComputeChunkAtom : public Compute {
double offset[3],invdelta[3];
double minvalue[3],maxvalue[3];
// spherical spatial bins
double sorigin[3];
double sradmin,sradmax,sinvdelta;
int nsphere;
char *idregion;
class Region *region;
@ -97,11 +105,13 @@ class ComputeChunkAtom : public Compute {
void assign_chunk_ids();
void compress_chunk_ids();
void check_molecules();
int setup_bins();
int setup_xyz_bins();
int setup_sphere_bins();
void bin_volumes();
void atom2bin1d();
void atom2bin2d();
void atom2bin3d();
void atom2binsphere();
void readdim(int, char **, int, int);
};