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Merge remote branch 'lammps-ro/master' into lammps-icms

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Resolved Conflicts:
	src/atom.cpp
This commit is contained in:
Axel Kohlmeyer
2014-04-08 12:56:10 +02:00
parent 87e1bc1821 2292ba2c67
commit fb3a956155
15 changed files with 1120 additions and 33 deletions
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7
src/atom.cpp
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@ -162,8 +162,7 @@ Atom::Atom(LAMMPS *lmp) : Pointers(lmp)
tag_enable = 1;
map_style = map_user = 0;
map_tag_max = -1;
map_maxarray = 0;
map_nhash = -1;
map_maxarray = map_nhash = 0;
max_same = 0;
sametag = NULL;
@ -350,7 +349,8 @@ void Atom::create_avec(const char *style, int narg, char **arg, char *suffix)
// if molecular system:
// atom IDs must be defined
// force atom map to be created, style will reset by map_init()
// force atom map to be created
// map style may be reset by map_init() and its call to map_style_set()
molecular = avec->molecular;
if (molecular && tag_enable == 0)
@ -480,7 +480,6 @@ void Atom::modify_params(int narg, char **arg)
if (strcmp(arg[iarg+1],"array") == 0) map_user = 1;
else if (strcmp(arg[iarg+1],"hash") == 0) map_user = 2;
else error->all(FLERR,"Illegal atom_modify command");
map_style = map_user;
iarg += 2;
} else if (strcmp(arg[iarg],"first") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal atom_modify command");