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Merge from lammps master

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This commit is contained in:
julient31
2018-05-21 16:06:53 -06:00
parent 437e854741 94c6d2d546
commit 1641f78e3e
1621 changed files with 28923 additions and 7380 deletions
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14
src/atom.cpp
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@ -12,11 +12,11 @@
------------------------------------------------------------------------- */
#include <mpi.h>
#include <math.h>
#include <stdio.h>
#include <stdlib.h>
#include <string.h>
#include <limits.h>
#include <cmath>
#include <cstdio>
#include <cstdlib>
#include <cstring>
#include <climits>
#include "atom.h"
#include "style_atom.h"
#include "atom_vec.h"
@ -51,8 +51,6 @@ using namespace MathConst;
#define DELTA_MEMSTR 1024
#define EPSILON 1.0e-6
enum{LAYOUT_UNIFORM,LAYOUT_NONUNIFORM,LAYOUT_TILED}; // several files
/* ---------------------------------------------------------------------- */
Atom::Atom(LAMMPS *lmp) : Pointers(lmp)
@ -881,7 +879,7 @@ void Atom::data_atoms(int n, char *buf, tagint id_offset, tagint mol_offset,
sublo[2] = domain->sublo_lamda[2]; subhi[2] = domain->subhi_lamda[2];
}
if (comm->layout != LAYOUT_TILED) {
if (comm->layout != Comm::LAYOUT_TILED) {
if (domain->xperiodic) {
if (comm->myloc[0] == 0) sublo[0] -= epsilon[0];
if (comm->myloc[0] == comm->procgrid[0]-1) subhi[0] += epsilon[0];