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lammps
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Commit JT 060118 Changes Stan

This commit is contained in:
julient31 2018-06-01 15:19:27 -06:00
parent f2a6aa249f
commit 9dda907f7d
3 changed files with 8 additions and 9 deletions
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1
src/atom.cpp
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@ -507,7 +507,6 @@ AtomVec *Atom::new_avec(const char *style, int trysuffix, int &sflag)
AtomVecCreator avec_creator = (*avec_map)[style];
return avec_creator(lmp);
}
//printf("test entries function: %s, %d, %d \n ",style, trysuffix, &sflag);
error->all(FLERR,"Unknown atom style");
return NULL;
}

14
src/dump_custom.cpp
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@ -83,8 +83,8 @@ DumpCustom::DumpCustom(LAMMPS *lmp, int narg, char **arg) :
pack_choice = new FnPtrPack[nfield];
vtype = new int[nfield];
field2index = new int[nfield];
argindex = new int[nfield];
memory->create(field2index,nfield,"dump:field2index");
memory->create(argindex,nfield,"dump:argindex");
buffer_allow = 1;
buffer_flag = 1;
@ -201,8 +201,8 @@ DumpCustom::~DumpCustom()
delete [] pack_choice;
delete [] vtype;
delete [] field2index;
delete [] argindex;
memory->destroy(field2index);
memory->destroy(argindex);
delete [] idregion;
memory->destroy(thresh_array);
@ -245,8 +245,10 @@ DumpCustom::~DumpCustom()
for (int i = 1; i <= ntypes; i++) delete [] typenames[i];
delete [] typenames;
for (int i = 0; i < size_one; i++) delete [] vformat[i];
delete [] vformat;
if(vformat) {
for (int i = 0; i < size_one; i++) delete [] vformat[i];
delete [] vformat;
}
for (int i = 0; i < size_one; i++) delete [] format_column_user[i];
delete [] format_column_user;

2
src/verlet.cpp
View File

@ -387,8 +387,6 @@ void Verlet::force_clear()
if (nbytes) {
memset(&atom->f[0][0],0,3*nbytes);
//test memset for fm
//memset(&atom->fm[0][0],0,3*nbytes);
if (torqueflag) memset(&atom->torque[0][0],0,3*nbytes);
if (extraflag) atom->avec->force_clear(0,nbytes);
}