Merge branch 'master' into symbolic-atom-constants

This commit is contained in:
Axel Kohlmeyer
2020-09-15 17:44:31 -04:00
1186 changed files with 8448 additions and 8360 deletions

View File

@ -55,22 +55,22 @@ ReadDump::ReadDump(LAMMPS *lmp) : Pointers(lmp)
triclinic = domain->triclinic;
nfile = 0;
files = NULL;
files = nullptr;
nnew = maxnew = 0;
nfield = 0;
fieldtype = NULL;
fieldlabel = NULL;
fields = NULL;
buf = NULL;
fieldtype = nullptr;
fieldlabel = nullptr;
fields = nullptr;
buf = nullptr;
int n = strlen("native") + 1;
readerstyle = new char[n];
strcpy(readerstyle,"native");
nreader = 0;
readers = NULL;
nsnapatoms = NULL;
readers = nullptr;
nsnapatoms = nullptr;
clustercomm = MPI_COMM_NULL;
filereader = 0;
parallel = 0;
@ -111,9 +111,9 @@ void ReadDump::command(int narg, char **arg)
int nremain = narg - 2;
if (nremain) nremain = fields_and_keywords(nremain,&arg[narg-nremain]);
else nremain = fields_and_keywords(0,NULL);
else nremain = fields_and_keywords(0,nullptr);
if (nremain) setup_reader(nremain,&arg[narg-nremain]);
else setup_reader(0,NULL);
else setup_reader(0,nullptr);
// find the snapshot and read/bcast/process header info
@ -713,7 +713,7 @@ void ReadDump::read_atoms()
if (nnew > maxnew || maxnew == 0) {
memory->destroy(fields);
maxnew = MAX(nnew,1); // avoid NULL ptr
maxnew = MAX(nnew,1); // avoid null pointer
memory->create(fields,maxnew,nfield,"read_dump:fields");
}
@ -753,7 +753,7 @@ void ReadDump::read_atoms()
nnew = static_cast<int> (olast - ofirst);
if (nnew > maxnew || maxnew == 0) {
memory->destroy(fields);
maxnew = MAX(nnew,1); // avoid NULL ptr
maxnew = MAX(nnew,1); // avoid null pointer
memory->create(fields,maxnew,nfield,"read_dump:fields");
}
@ -779,7 +779,7 @@ void ReadDump::read_atoms()
nnew = static_cast<int> (sum);
if (nnew > maxnew || maxnew == 0) {
memory->destroy(fields);
maxnew = MAX(nnew,1); // avoid NULL ptr
maxnew = MAX(nnew,1); // avoid null pointer
memory->create(fields,maxnew,nfield,"read_dump:fields");
}
@ -1105,7 +1105,7 @@ void ReadDump::migrate_new_atoms()
Irregular *irregular = new Irregular(lmp);
int nrecv = irregular->create_data(nnew,procassign,1);
int newmaxnew = MAX(nrecv,maxnew);
newmaxnew = MAX(newmaxnew,1); // avoid NULL ptr
newmaxnew = MAX(newmaxnew,1); // avoid null pointer
memory->create(newfields,newmaxnew,nfield,"read_dump:newfields");
irregular->exchange_data((char *) &fields[0][0],nfield*sizeof(double),
(char *) &newfields[0][0]);
@ -1207,7 +1207,7 @@ int ReadDump::fields_and_keywords(int narg, char **arg)
purgeflag = 0;
trimflag = 0;
addflag = NOADD;
for (int i = 0; i < nfield; i++) fieldlabel[i] = NULL;
for (int i = 0; i < nfield; i++) fieldlabel[i] = nullptr;
scaleflag = 0;
wrapflag = 1;