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Rename default directory to lammps and reorganize gromacs variant steps

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Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
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Rafael Ravedutti
2022-01-25 21:00:11 +01:00
parent cbe42b8149
commit aa0f4048d0
34 changed files with 12 additions and 9 deletions
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gromacs/includes/neighbor.h
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@@ -39,4 +39,5 @@ extern void binatoms(Atom*);
extern void buildNeighbor(Parameter*, Atom*, Neighbor*);
extern void sortAtom(Atom*);
extern void buildClusters(Parameter*, Atom*);
extern void binGhostClusters(Parameter*, Atom*);
#endif