From 3695dc503cb0b9b6025d1b4f9af04d657a7e465f Mon Sep 17 00:00:00 2001
From: sjplimp <sjplimp@f3b2605a-c512-4ea7-a41b-209d697bcdaa>
Date: Wed, 19 Sep 2007 22:38:23 +0000
Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@894
f3b2605a-c512-4ea7-a41b-209d697bcdaa
---
src/MANYBODY/pair_eam.cpp | 2 +-
src/MANYBODY/pair_sw.cpp | 2 +-
src/MANYBODY/pair_tersoff.cpp | 4 ++--
src/pair.cpp | 5 ++---
4 files changed, 6 insertions(+), 7 deletions(-)
diff --git a/src/MANYBODY/pair_eam.cpp b/src/MANYBODY/pair_eam.cpp
index 71a9fefc23..760167f8fb 100644
--- a/src/MANYBODY/pair_eam.cpp
+++ b/src/MANYBODY/pair_eam.cpp
@@ -314,7 +314,7 @@ void PairEAM::allocate()
cutsq = memory->create_2d_double_array(n+1,n+1,"pair:cutsq");
map = new int[n+1];
- for (int i = 1; i <= n; i++) map[n] = -1;
+ for (int i = 1; i <= n; i++) map[i] = -1;
type2frho = new int[n+1];
type2rhor = memory->create_2d_int_array(n+1,n+1,"pair:type2rhor");
diff --git a/src/MANYBODY/pair_sw.cpp b/src/MANYBODY/pair_sw.cpp
index e508a6dca3..857064231d 100755
--- a/src/MANYBODY/pair_sw.cpp
+++ b/src/MANYBODY/pair_sw.cpp
@@ -306,7 +306,7 @@ void PairSW::read_file(char *file)
int params_per_line = 13;
char **words = new char*[params_per_line+1];
- if (params) delete [] params;
+ memory->sfree(params);
params = NULL;
nparams = 0;
diff --git a/src/MANYBODY/pair_tersoff.cpp b/src/MANYBODY/pair_tersoff.cpp
index aeda1f1c48..453928b7c4 100755
--- a/src/MANYBODY/pair_tersoff.cpp
+++ b/src/MANYBODY/pair_tersoff.cpp
@@ -63,7 +63,7 @@ PairTersoff::~PairTersoff()
if (elements)
for (int i = 0; i < nelements; i++) delete [] elements[i];
delete [] elements;
- delete [] params;
+ memory->sfree(params);
memory->destroy_3d_int_array(elem2param);
if (allocated) {
@@ -343,7 +343,7 @@ void PairTersoff::read_file(char *file)
int params_per_line = 15;
char **words = new char*[params_per_line+1];
- if (params) delete [] params;
+ memory->sfree(params);
params = NULL;
nparams = 0;
diff --git a/src/pair.cpp b/src/pair.cpp
index 98ca74e888..b7278c634b 100644
--- a/src/pair.cpp
+++ b/src/pair.cpp
@@ -122,13 +122,12 @@ void Pair::init()
if (tail_flag && domain->nonperiodic && comm->me == 0)
error->warning("Using pair tail corrections with nonperiodic system");
- init_style();
-
if (!allocated) error->all("All pair coeffs are not set");
-
for (i = 1; i <= atom->ntypes; i++)
if (setflag[i][i] == 0) error->all("All pair coeffs are not set");
+ init_style();
+
double cut;
cutforce = 0.0;
etail = ptail = 0.0;
--
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