Add EAM without explicit types and update fp for PBC atoms
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
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@@ -30,6 +30,7 @@ typedef struct {
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MD_FLOAT *x, *y, *z;
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MD_FLOAT *vx, *vy, *vz;
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MD_FLOAT *fx, *fy, *fz;
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int *border_map;
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int *type;
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int ntypes;
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MD_FLOAT *epsilon;
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@@ -37,4 +37,5 @@ extern void initNeighbor(Neighbor*, Parameter*);
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extern void setupNeighbor();
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extern void binatoms(Atom*);
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extern void buildNeighbor(Atom*, Neighbor*);
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extern void sortAtom(Atom*);
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#endif
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