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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15561 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
sjplimp
2016-09-08 20:20:32 +00:00
parent 06b7d56e16
commit b190abea39
439 changed files with 6275 additions and 5739 deletions
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59
src/atom.cpp
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@ -210,6 +210,15 @@ Atom::Atom(LAMMPS *lmp) : Pointers(lmp)
datamask = ALL_MASK;
datamask_ext = ALL_MASK;
avec_map = new AtomVecCreatorMap();
#define ATOM_CLASS
#define AtomStyle(key,Class) \
(*avec_map)[#key] = &avec_creator<Class>;
#include "style_atom.h"
#undef AtomStyle
#undef ATOM_CLASS
}
/* ---------------------------------------------------------------------- */
@ -218,6 +227,7 @@ Atom::~Atom()
{
delete [] atom_style;
delete avec;
delete avec_map;
delete [] firstgroupname;
memory->destroy(binhead);
@ -445,46 +455,43 @@ AtomVec *Atom::new_avec(const char *style, int trysuffix, int &sflag)
sflag = 1;
char estyle[256];
sprintf(estyle,"%s/%s",style,lmp->suffix);
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
if (avec_map->find(estyle) != avec_map->end()) {
AtomVecCreator avec_creator = (*avec_map)[estyle];
return avec_creator(lmp);
}
}
if (lmp->suffix2) {
sflag = 2;
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
if (avec_map->find(estyle) != avec_map->end()) {
AtomVecCreator avec_creator = (*avec_map)[estyle];
return avec_creator(lmp);
}
}
}
sflag = 0;
if (0) return NULL;
if (avec_map->find(style) != avec_map->end()) {
AtomVecCreator avec_creator = (*avec_map)[style];
return avec_creator(lmp);
}
#define ATOM_CLASS
#define AtomStyle(key,Class) \
else if (strcmp(style,#key) == 0) return new Class(lmp);
#include "style_atom.h"
#undef ATOM_CLASS
else error->all(FLERR,"Unknown atom style");
error->all(FLERR,"Unknown atom style");
return NULL;
}
/* ----------------------------------------------------------------------
one instance per AtomVec style in style_atom.h
------------------------------------------------------------------------- */
template <typename T>
AtomVec *Atom::avec_creator(LAMMPS *lmp)
{
return new T(lmp);
}
/* ---------------------------------------------------------------------- */
void Atom::init()