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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10160 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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This commit is contained in:
sjplimp
2013-06-28 19:00:58 +00:00
parent fcc992d386
commit aa33af4032
94 changed files with 638 additions and 590 deletions
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27
src/fix_indent.cpp
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@ -29,6 +29,7 @@
#include "output.h"
#include "respa.h"
#include "error.h"
#include "force.h"
using namespace LAMMPS_NS;
using namespace FixConst;
@ -50,7 +51,7 @@ FixIndent::FixIndent(LAMMPS *lmp, int narg, char **arg) :
extscalar = 1;
extvector = 1;
k = atof(arg[3]);
k = force->numeric(FLERR,arg[3]);
k3 = k/3.0;
// read options from end of input line
@ -416,22 +417,22 @@ void FixIndent::options(int narg, char **arg)
int n = strlen(&arg[iarg+1][2]) + 1;
xstr = new char[n];
strcpy(xstr,&arg[iarg+1][2]);
} else xvalue = atof(arg[iarg+1]);
} else xvalue = force->numeric(FLERR,arg[iarg+1]);
if (strstr(arg[iarg+2],"v_") == arg[iarg+2]) {
int n = strlen(&arg[iarg+2][2]) + 1;
ystr = new char[n];
strcpy(ystr,&arg[iarg+2][2]);
} else yvalue = atof(arg[iarg+2]);
} else yvalue = force->numeric(FLERR,arg[iarg+2]);
if (strstr(arg[iarg+3],"v_") == arg[iarg+3]) {
int n = strlen(&arg[iarg+3][2]) + 1;
zstr = new char[n];
strcpy(zstr,&arg[iarg+3][2]);
} else zvalue = atof(arg[iarg+3]);
} else zvalue = force->numeric(FLERR,arg[iarg+3]);
if (strstr(arg[iarg+4],"v_") == arg[iarg+4]) {
int n = strlen(&arg[iarg+4][2]) + 1;
rstr = new char[n];
strcpy(rstr,&arg[iarg+4][2]);
} else rvalue = atof(arg[iarg+4]);
} else rvalue = force->numeric(FLERR,arg[iarg+4]);
istyle = SPHERE;
iarg += 5;
@ -445,43 +446,43 @@ void FixIndent::options(int narg, char **arg)
int n = strlen(&arg[iarg+2][2]) + 1;
ystr = new char[n];
strcpy(ystr,&arg[iarg+2][2]);
} else yvalue = atof(arg[iarg+2]);
} else yvalue = force->numeric(FLERR,arg[iarg+2]);
if (strstr(arg[iarg+3],"v_") == arg[iarg+3]) {
int n = strlen(&arg[iarg+3][2]) + 1;
zstr = new char[n];
strcpy(zstr,&arg[iarg+3][2]);
} else zvalue = atof(arg[iarg+3]);
} else zvalue = force->numeric(FLERR,arg[iarg+3]);
} else if (strcmp(arg[iarg+1],"y") == 0) {
cdim = 1;
if (strstr(arg[iarg+2],"v_") == arg[iarg+2]) {
int n = strlen(&arg[iarg+2][2]) + 1;
xstr = new char[n];
strcpy(xstr,&arg[iarg+2][2]);
} else xvalue = atof(arg[iarg+2]);
} else xvalue = force->numeric(FLERR,arg[iarg+2]);
if (strstr(arg[iarg+3],"v_") == arg[iarg+3]) {
int n = strlen(&arg[iarg+3][2]) + 1;
zstr = new char[n];
strcpy(zstr,&arg[iarg+3][2]);
} else zvalue = atof(arg[iarg+3]);
} else zvalue = force->numeric(FLERR,arg[iarg+3]);
} else if (strcmp(arg[iarg+1],"z") == 0) {
cdim = 2;
if (strstr(arg[iarg+2],"v_") == arg[iarg+2]) {
int n = strlen(&arg[iarg+2][2]) + 1;
xstr = new char[n];
strcpy(xstr,&arg[iarg+2][2]);
} else xvalue = atof(arg[iarg+2]);
} else xvalue = force->numeric(FLERR,arg[iarg+2]);
if (strstr(arg[iarg+3],"v_") == arg[iarg+3]) {
int n = strlen(&arg[iarg+3][2]) + 1;
ystr = new char[n];
strcpy(ystr,&arg[iarg+3][2]);
} else yvalue = atof(arg[iarg+3]);
} else yvalue = force->numeric(FLERR,arg[iarg+3]);
} else error->all(FLERR,"Illegal fix indent command");
if (strstr(arg[iarg+4],"v_") == arg[iarg+4]) {
int n = strlen(&arg[iarg+4][2]) + 1;
rstr = new char[n];
strcpy(rstr,&arg[iarg+4][2]);
} else rvalue = atof(arg[iarg+4]);
} else rvalue = force->numeric(FLERR,arg[iarg+4]);
istyle = CYLINDER;
iarg += 5;
@ -497,7 +498,7 @@ void FixIndent::options(int narg, char **arg)
int n = strlen(&arg[iarg+2][2]) + 1;
pstr = new char[n];
strcpy(pstr,&arg[iarg+2][2]);
} else pvalue = atof(arg[iarg+2]);
} else pvalue = force->numeric(FLERR,arg[iarg+2]);
if (strcmp(arg[iarg+3],"lo") == 0) planeside = -1;
else if (strcmp(arg[iarg+3],"hi") == 0) planeside = 1;