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Add Kokkos version of compute coord/atom

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This commit is contained in:
Stan Moore
2020-02-25 10:22:30 -07:00
parent a3c5c49a6b
commit a44e49e276
5 changed files with 335 additions and 4 deletions
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8
src/compute_coord_atom.h
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@ -27,16 +27,16 @@ namespace LAMMPS_NS {
class ComputeCoordAtom : public Compute {
public:
ComputeCoordAtom(class LAMMPS *, int, char **);
~ComputeCoordAtom();
void init();
virtual ~ComputeCoordAtom();
virtual void init();
void init_list(int, class NeighList *);
void compute_peratom();
virtual void compute_peratom();
int pack_forward_comm(int, int *, double *, int, int *);
void unpack_forward_comm(int, int, double *);
double memory_usage();
enum {NONE,CUTOFF,ORIENT};
private:
protected:
int nmax,ncol;
double cutsq;
class NeighList *list;