Add prunning kernel

Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
This commit is contained in:
Rafael Ravedutti
2022-02-28 17:20:39 +01:00
parent c62e4ea4ad
commit 1389f89fb7
4 changed files with 48 additions and 0 deletions

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@@ -37,6 +37,7 @@ extern void initNeighbor(Neighbor*, Parameter*);
extern void setupNeighbor(Parameter*, Atom*);
extern void binatoms(Atom*);
extern void buildNeighbor(Atom*, Neighbor*);
extern void pruneNeighbor(Parameter*, Atom*, Neighbor*);
extern void sortAtom(Atom*);
extern void buildClusters(Atom*);
extern void binClusters(Atom*);

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@@ -42,6 +42,7 @@ typedef struct {
int ntimes;
int nstat;
int every;
int prune_every;
MD_FLOAT dt;
MD_FLOAT dtforce;
MD_FLOAT cutforce;