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Introduce ComputeChunk class with shared functionality of all /chunk computes

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This commit is contained in:
Axel Kohlmeyer
2023-03-18 05:55:03 -04:00
parent fce1f8e0af
commit 1ccb0f8d8d
29 changed files with 958 additions and 2050 deletions
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20
src/compute_property_chunk.h
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@ -20,37 +20,27 @@ ComputeStyle(property/chunk,ComputePropertyChunk);
#ifndef LMP_COMPUTE_CHUNK_MOLECULE_H
#define LMP_COMPUTE_CHUNK_MOLECULE_H
#include "compute.h"
#include "compute_chunk.h"
namespace LAMMPS_NS {
class ComputePropertyChunk : public Compute {
class ComputePropertyChunk : public ComputeChunk {
public:
ComputePropertyChunk(class LAMMPS *, int, char **);
~ComputePropertyChunk() override;
void init() override;
void compute_vector() override;
void compute_array() override;
void lock_enable() override;
void lock_disable() override;
int lock_length() override;
void lock(class Fix *, bigint, bigint) override;
void unlock(class Fix *) override;
double memory_usage() override;
private:
int nchunk, maxchunk;
char *idchunk;
class ComputeChunkAtom *cchunk;
int *ichunk;
int nvalues, countflag;
double *buf;
int *count_one, *count_all;
void allocate();
void allocate() override;
typedef void (ComputePropertyChunk::*FnPtrPack)(int);
FnPtrPack *pack_choice; // ptrs to pack functions
@ -61,8 +51,6 @@ class ComputePropertyChunk : public Compute {
void pack_coord2(int);
void pack_coord3(int);
};
} // namespace LAMMPS_NS
#endif
#endif