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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12310 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2014-08-14 16:30:03 +00:00
parent 405a2fd487
commit 0f6eb0877e
59 changed files with 9668 additions and 304 deletions
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80
src/update.cpp
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@ -62,7 +62,7 @@ Update::Update(LAMMPS *lmp) : Pointers(lmp)
minimize = NULL;
str = (char *) "verlet";
create_integrate(1,&str,lmp->suffix);
create_integrate(1,&str,1);
str = (char *) "cg";
create_minimize(1,&str);
@ -293,7 +293,7 @@ void Update::set_units(const char *style)
/* ---------------------------------------------------------------------- */
void Update::create_integrate(int narg, char **arg, char *suffix)
void Update::create_integrate(int narg, char **arg, int trysuffix)
{
if (narg < 1) error->all(FLERR,"Illegal run_style command");
@ -301,11 +301,12 @@ void Update::create_integrate(int narg, char **arg, char *suffix)
delete integrate;
int sflag;
new_integrate(arg[0],narg-1,&arg[1],suffix,sflag);
new_integrate(arg[0],narg-1,&arg[1],trysuffix,sflag);
if (sflag) {
char estyle[256];
sprintf(estyle,"%s/%s",arg[0],suffix);
if (sflag == 1) sprintf(estyle,"%s/%s",arg[0],lmp->suffix);
else sprintf(estyle,"%s/%s",arg[0],lmp->suffix2);
int n = strlen(estyle) + 1;
integrate_style = new char[n];
strcpy(integrate_style,estyle);
@ -321,42 +322,59 @@ void Update::create_integrate(int narg, char **arg, char *suffix)
------------------------------------------------------------------------- */
void Update::new_integrate(char *style, int narg, char **arg,
char *suffix, int &sflag)
int trysuffix, int &sflag)
{
int success = 0;
if (trysuffix && lmp->suffix_enable) {
if (lmp->suffix) {
sflag = 1;
char estyle[256];
sprintf(estyle,"%s/%s",style,lmp->suffix);
int success = 1;
if (suffix && lmp->suffix_enable) {
sflag = 1;
char estyle[256];
sprintf(estyle,"%s/%s",style,suffix);
success = 1;
if (0) return;
if (0) return;
#define INTEGRATE_CLASS
#define IntegrateStyle(key,Class) \
else if (strcmp(estyle,#key) == 0) integrate = new Class(lmp,narg,arg);
else if (strcmp(estyle,#key) == 0) integrate = new Class(lmp,narg,arg);
#include "style_integrate.h"
#undef IntegrateStyle
#undef INTEGRATE_CLASS
else success = 0;
if (success) return;
}
if (lmp->suffix2) {
sflag = 2;
char estyle[256];
sprintf(estyle,"%s/%s",style,lmp->suffix2);
int success = 1;
if (0) return;
#define INTEGRATE_CLASS
#define IntegrateStyle(key,Class) \
else if (strcmp(estyle,#key) == 0) integrate = new Class(lmp,narg,arg);
#include "style_integrate.h"
#undef IntegrateStyle
#undef INTEGRATE_CLASS
else success = 0;
if (success) return;
}
}
sflag = 0;
if (0) return;
#define INTEGRATE_CLASS
#define IntegrateStyle(key,Class) \
else if (strcmp(style,#key) == 0) integrate = new Class(lmp,narg,arg);
#include "style_integrate.h"
#undef IntegrateStyle
#undef INTEGRATE_CLASS
else success = 0;
}
if (!success) {
sflag = 0;
if (0) return;
#define INTEGRATE_CLASS
#define IntegrateStyle(key,Class) \
else if (strcmp(style,#key) == 0) integrate = new Class(lmp,narg,arg);
#include "style_integrate.h"
#undef IntegrateStyle
#undef INTEGRATE_CLASS
else error->all(FLERR,"Illegal integrate style");
}
else error->all(FLERR,"Illegal integrate style");
}
/* ---------------------------------------------------------------------- */