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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6188 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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This commit is contained in:
sjplimp
2011-05-20 17:33:20 +00:00
parent b40cd20066
commit 5a5cfcc81b
2 changed files with 40 additions and 35 deletions
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71
src/update.cpp
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@ -56,25 +56,16 @@ Update::Update(LAMMPS *lmp) : Pointers(lmp)
unit_style = NULL;
set_units("lj");
if (lmp->accelerator == USERCUDA) {
str = (char *) "verlet/cuda";
n = strlen(str) + 1;
integrate_style = new char[n];
strcpy(integrate_style,str);
integrate = new VerletCuda(lmp,0,NULL);
} else {
str = (char *) "verlet";
n = strlen(str) + 1;
integrate_style = new char[n];
strcpy(integrate_style,str);
integrate = new Verlet(lmp,0,NULL);
}
integrate_style = NULL;
integrate = NULL;
minimize_style = NULL;
minimize = NULL;
str = (char *) "verlet";
create_integrate(1,&str,lmp->asuffix);
str = (char *) "cg";
n = strlen(str) + 1;
minimize_style = new char[n];
strcpy(minimize_style,str);
minimize = new MinCG(lmp);
create_minimize(1,&str);
}
/* ---------------------------------------------------------------------- */
@ -209,45 +200,55 @@ void Update::create_integrate(int narg, char **arg, char *suffix)
delete [] integrate_style;
delete integrate;
// create the Integrate, first with suffix appended
int sflag;
new_integrate(arg[0],narg-1,&arg[1],suffix,sflag);
int success = 0;
if (suffix) {
if (sflag) {
char estyle[256];
sprintf(estyle,"%s/%s",arg[0],suffix);
success = 1;
int n = strlen(estyle) + 1;
integrate_style = new char[n];
strcpy(integrate_style,estyle);
} else {
int n = strlen(arg[0]) + 1;
integrate_style = new char[n];
strcpy(integrate_style,arg[0]);
}
}
/* ---------------------------------------------------------------------- */
void Update::new_integrate(char *style, int narg, char **arg,
char *suffix, int &sflag)
{
if (suffix) {
sflag = 1;
char estyle[256];
sprintf(estyle,"%s/%s",style,suffix);
if (0) return;
#define INTEGRATE_CLASS
#define IntegrateStyle(key,Class) \
else if (strcmp(estyle,#key) == 0) \
integrate = new Class(lmp,narg-1,&arg[1]);
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) {
if (0) return;
sflag = 0;
if (0) return;
#define INTEGRATE_CLASS
#define IntegrateStyle(key,Class) \
else if (strcmp(arg[0],#key) == 0) \
integrate = new Class(lmp,narg-1,&arg[1]);
else if (strcmp(style,#key) == 0) integrate = new Class(lmp,narg,arg);
#include "style_integrate.h"
#undef IntegrateStyle
#undef INTEGRATE_CLASS
else error->all("Illegal run_style command");
}
int n = strlen(arg[0]) + 1;
integrate_style = new char[n];
strcpy(integrate_style,arg[0]);
else error->all("Illegal integrate style");
}
/* ---------------------------------------------------------------------- */