From 02cd6e118b92b6bc7ff19a57e1811c41619b1722 Mon Sep 17 00:00:00 2001
From: sjplimp <sjplimp@f3b2605a-c512-4ea7-a41b-209d697bcdaa>
Date: Wed, 18 Dec 2013 13:28:46 +0000
Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11125
f3b2605a-c512-4ea7-a41b-209d697bcdaa
---
src/atom.cpp | 11 ++++++++---
src/atom_vec.cpp | 9 +++++++++
src/atom_vec.h | 1 +
3 files changed, 18 insertions(+), 3 deletions(-)
diff --git a/src/atom.cpp b/src/atom.cpp
index 53300484d0..714449769c 100644
--- a/src/atom.cpp
+++ b/src/atom.cpp
@@ -288,7 +288,7 @@ void Atom::settings(Atom *old)
/* ----------------------------------------------------------------------
create an AtomVec style
- called from input script, restart file, replicate
+ called from lammps.cpp, input script, restart file, replicate
------------------------------------------------------------------------- */
void Atom::create_avec(const char *style, int narg, char **arg, char *suffix)
@@ -308,13 +308,18 @@ void Atom::create_avec(const char *style, int narg, char **arg, char *suffix)
vfrac_flag = spin_flag = eradius_flag = ervel_flag = erforce_flag = 0;
// create instance of AtomVec
- // use grow to initialize atom-based arrays to length 1
- // so that x[0][0] can be referenced even if proc has no atoms
+ // use grow() to initialize atom-based arrays to length 1
+ // so that x[0][0] can always be referenced even if proc has no atoms
+ // but reset nmax = 0
+ // so 2d arrays like bond_type will later be allocated correctly
+ // since currently, 2nd dimension bond_per_atom = 0
int sflag;
avec = new_avec(style,suffix,sflag);
avec->settings(narg,arg);
avec->grow(1);
+ nmax = 0;
+ avec->reset();
if (sflag) {
char estyle[256];
diff --git a/src/atom_vec.cpp b/src/atom_vec.cpp
index 02b38db5cf..04964d5d1c 100644
--- a/src/atom_vec.cpp
+++ b/src/atom_vec.cpp
@@ -54,6 +54,15 @@ void AtomVec::init()
error->all(FLERR,"USER-CUDA package requires a cuda enabled atom_style");
}
+/* ----------------------------------------------------------------------
+ reset nmax = 0, called by Atom::create_avec() when new atom style created
+------------------------------------------------------------------------- */
+
+void AtomVec::reset()
+{
+ nmax = 0;
+}
+
/* ----------------------------------------------------------------------
unpack one line from Velocities section of data file
------------------------------------------------------------------------- */
diff --git a/src/atom_vec.h b/src/atom_vec.h
index dca790b7fe..2731538a00 100644
--- a/src/atom_vec.h
+++ b/src/atom_vec.h
@@ -98,6 +98,7 @@ class AtomVec : protected Pointers {
virtual void write_vel(FILE *, int, double **);
virtual int write_vel_hybrid(FILE *, double *) {return 0;}
+ void reset();
int pack_bond(int **);
void write_bond(FILE *, int, int **, int);
int pack_angle(int **);
--
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