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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14358 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2015-12-11 22:20:11 +00:00
parent 3b6a3f4e55
commit 762f48e528
3 changed files with 296 additions and 79 deletions
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17
src/compute_chunk_atom.h
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@ -67,9 +67,20 @@ class ComputeChunkAtom : public Compute {
// spherical spatial bins
double sorigin_user[3];
double sorigin[3];
double sradmin,sradmax,sinvdelta;
int nsphere;
double sradmin_user,sradmax_user;
double sradmin,sradmax,sinvrad;
int nsbin;
// cylindrical spatial bins
double corigin_user[2];
double corigin[2];
double cradmin_user,cradmax_user;
double cradmin,cradmax,cinvrad;
int cdim1,cdim2;
int ncbin,ncplane;
char *idregion;
class Region *region;
@ -107,11 +118,13 @@ class ComputeChunkAtom : public Compute {
void check_molecules();
int setup_xyz_bins();
int setup_sphere_bins();
int setup_cylinder_bins();
void bin_volumes();
void atom2bin1d();
void atom2bin2d();
void atom2bin3d();
void atom2binsphere();
void atom2bincylinder();
void readdim(int, char **, int, int);
};