make sure that when unpacking the Nbr struct you convert the index back to the... (ee5e4793) · Commits · 郑智淋 / lammps

src/USER-MISC/fix_orient_eco.cpp

+3 −2

Original line number	Diff line number	Diff line
		@@ -22,6 +22,7 @@
		#include "atom.h"
		#include "citeme.h"
		#include "comm.h"
		#include "domain.h"
		#include "error.h"
		#include "force.h"
		#include "math_const.h"
		@@ -530,8 +531,8 @@ void FixOrientECO::unpack_forward_comm(int n, int first, double *buf) {
		nbr[i].delta[j][0] = buf[m++];
		nbr[i].delta[j][1] = buf[m++];
		nbr[i].delta[j][2] = buf[m++];
		// convert from global to local id
		nbr[i].id[j] = atom->map(ubuf(buf[m++]).i);
		// convert from global to closest local id
		nbr[i].id[j] = domain->closest_image(i,atom->map(ubuf(buf[m++]).i));
		}
		}
		}