(952bfcaf) · Commits · 郑智淋 / lammps

src/neighbor.cpp

+5 −1

Original line number	Diff line number	Diff line
		@@ -118,6 +118,7 @@ Neighbor::Neighbor(LAMMPS *lmp) : Pointers(lmp)
		requests = NULL;

		old_style = BIN;
		old_triclinic = 0;
		old_nrequest = 0;
		old_requests = NULL;

		@@ -382,10 +383,12 @@ void Neighbor::init()

		// test if pairwise lists need to be re-created
		// no need to re-create if:
		// neigh style has not changed and current requests = old requests
		// neigh style and triclinic has not changed and
		// current requests = old requests

		int same = 1;
		if (style != old_style) same = 0;
		if (triclinic != old_triclinic) same = 0;
		if (nrequest != old_nrequest) same = 0;
		else
		for (i = 0; i < nrequest; i++)
		@@ -629,6 +632,7 @@ void Neighbor::init()
		nrequest = maxrequest = 0;
		requests = NULL;
		old_style = style;
		old_triclinic = triclinic;

		// ------------------------------------------------------------------
		// topology lists

+1 −0

Original line number	Diff line number	Diff line
		@@ -43,6 +43,7 @@ class Neighbor : protected Pointers {

		int old_style; // previous run info to avoid
		int old_nrequest; // re-creation of pairwise neighbor lists
		int old_triclinic;
		class NeighRequest **old_requests;

		int nlist; // pairwise neighbor lists