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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6186 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2011-05-20 17:14:41 +00:00
parent ab5508e3c8
commit 717139ef0f
4 changed files with 45 additions and 30 deletions
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35
src/force.cpp
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@ -122,24 +122,32 @@ void Force::create_pair(const char *style, char *suffix)
delete [] pair_style;
if (pair) delete pair;
pair = new_pair(style,suffix);
int n = strlen(style) + 1;
pair_style = new char[n];
strcpy(pair_style,style);
int sflag;
pair = new_pair(style,suffix,sflag);
if (sflag) {
char estyle[256];
sprintf(estyle,"%s/%s",style,suffix);
int n = strlen(estyle) + 1;
pair_style = new char[n];
strcpy(pair_style,estyle);
} else {
int n = strlen(style) + 1;
pair_style = new char[n];
strcpy(pair_style,style);
}
}
/* ----------------------------------------------------------------------
generate a pair class, first with suffix appended
------------------------------------------------------------------------- */
Pair *Force::new_pair(const char *style, char *suffix)
Pair *Force::new_pair(const char *style, char *suffix, int &sflag)
{
int success = 0;
if (suffix) {
sflag = 1;
char estyle[256];
sprintf(estyle,"%s/%s",style,suffix);
success = 1;
if (0) return NULL;
@ -150,20 +158,19 @@ Pair *Force::new_pair(const char *style, char *suffix)
#undef PairStyle
#undef PAIR_CLASS
else success = 0;
}
if (!success) {
if (strcmp(style,"none") == 0) return NULL;
sflag = 0;
if (strcmp(style,"none") == 0) return NULL;
#define PAIR_CLASS
#define PairStyle(key,Class) \
else if (strcmp(style,#key) == 0) return new Class(lmp);
else if (strcmp(style,#key) == 0) return new Class(lmp);
#include "style_pair.h"
#undef PAIR_CLASS
else error->all("Invalid pair style");
}
else error->all("Invalid pair style");
return NULL;
}