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Add Kokkos version of minimize

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This commit is contained in:
Stan Moore
2019-08-28 09:41:15 -06:00
parent 0b34db7881
commit 02e6ce32ea
19 changed files with 1819 additions and 39 deletions
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16
src/fix_minimize.h
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@ -29,22 +29,22 @@ class FixMinimize : public Fix {
public:
FixMinimize(class LAMMPS *, int, char **);
~FixMinimize();
virtual ~FixMinimize();
int setmask();
void init() {}
virtual void init() {}
double memory_usage();
void grow_arrays(int);
void copy_arrays(int, int, int);
int pack_exchange(int, double *);
int unpack_exchange(int, double *);
virtual void grow_arrays(int);
virtual void copy_arrays(int, int, int);
virtual int pack_exchange(int, double *);
virtual int unpack_exchange(int, double *);
void add_vector(int);
virtual void add_vector(int);
double *request_vector(int);
void store_box();
void reset_coords();
private:
protected:
int nvector;
int *peratom;
double **vectors;