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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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This commit is contained in:
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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39
src/atom.cpp
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@ -333,7 +333,7 @@ void Atom::settings(Atom *old)
called from lammps.cpp, input script, restart file, replicate
------------------------------------------------------------------------- */
void Atom::create_avec(const char *style, int narg, char **arg, char *suffix)
void Atom::create_avec(const char *style, int narg, char **arg, int trysuffix)
{
delete [] atom_style;
if (avec) delete avec;
@ -362,14 +362,15 @@ void Atom::create_avec(const char *style, int narg, char **arg, char *suffix)
// so that x[0][0] can always be referenced even if proc has no atoms
int sflag;
avec = new_avec(style,suffix,sflag);
avec = new_avec(style,trysuffix,sflag);
avec->store_args(narg,arg);
avec->process_args(narg,arg);
avec->grow(1);
if (sflag) {
char estyle[256];
sprintf(estyle,"%s/%s",style,suffix);
if (sflag = 1) sprintf(estyle,"%s/%s",style,lmp->suffix);
else sprintf(estyle,"%s/%s",style,lmp->suffix2);
int n = strlen(estyle) + 1;
atom_style = new char[n];
strcpy(atom_style,estyle);
@ -394,26 +395,41 @@ void Atom::create_avec(const char *style, int narg, char **arg, char *suffix)
generate an AtomVec class, first with suffix appended
------------------------------------------------------------------------- */
AtomVec *Atom::new_avec(const char *style, char *suffix, int &sflag)
AtomVec *Atom::new_avec(const char *style, int trysuffix, int &sflag)
{
if (suffix && lmp->suffix_enable) {
sflag = 1;
char estyle[256];
sprintf(estyle,"%s/%s",style,suffix);
if (trysuffix && lmp->suffix_enable) {
if (lmp->suffix) {
sflag = 1;
char estyle[256];
sprintf(estyle,"%s/%s",style,lmp->suffix);
if (0) return NULL;
if (0) return NULL;
#define ATOM_CLASS
#define AtomStyle(key,Class) \
else if (strcmp(estyle,#key) == 0) return new Class(lmp);
else if (strcmp(estyle,#key) == 0) return new Class(lmp);
#include "style_atom.h"
#undef AtomStyle
#undef ATOM_CLASS
}
if (lmp->suffix2) {
sflag = 1;
char estyle[256];
sprintf(estyle,"%s/%s",style,lmp->suffix2);
if (0) return NULL;
#define ATOM_CLASS
#define AtomStyle(key,Class) \
else if (strcmp(estyle,#key) == 0) return new Class(lmp);
#include "style_atom.h"
#undef AtomStyle
#undef ATOM_CLASS
}
}
sflag = 0;
if (0) return NULL;
#define ATOM_CLASS
@ -423,7 +439,6 @@ AtomVec *Atom::new_avec(const char *style, char *suffix, int &sflag)
#undef ATOM_CLASS
else error->all(FLERR,"Invalid atom style");
return NULL;
}