ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

Merge branch 'master' into symbolic-atom-constants

Browse Source
This commit is contained in:
Axel Kohlmeyer
2020-09-15 17:44:31 -04:00
parent 618b08dcfc cebf6d33ba
commit 0f6a34775c
1186 changed files with 8448 additions and 8360 deletions
Download Patch File Download Diff File Expand all files Collapse all files

42
src/fix_neigh_history.cpp
View File

@ -34,8 +34,8 @@ enum{DEFAULT,NPARTNER,PERPARTNER}; // also set in fix neigh/history/omp
FixNeighHistory::FixNeighHistory(LAMMPS *lmp, int narg, char **arg) :
Fix(lmp, narg, arg),
pair(NULL), npartner(NULL), partner(NULL), valuepartner(NULL),
ipage_atom(NULL), dpage_atom(NULL), ipage_neigh(NULL), dpage_neigh(NULL)
pair(nullptr), npartner(nullptr), partner(nullptr), valuepartner(nullptr),
ipage_atom(nullptr), dpage_atom(nullptr), ipage_neigh(nullptr), dpage_neigh(nullptr)
{
if (narg != 4) error->all(FLERR,"Illegal fix NEIGH_HISTORY command");
@ -70,16 +70,16 @@ FixNeighHistory::FixNeighHistory(LAMMPS *lmp, int narg, char **arg) :
// other per-atom vectors
firstflag = NULL;
firstvalue = NULL;
firstflag = nullptr;
firstvalue = nullptr;
maxatom = 0;
// per-atom and per-neighbor data structs
ipage_atom = NULL;
dpage_atom = NULL;
ipage_neigh = NULL;
dpage_neigh = NULL;
ipage_atom = nullptr;
dpage_atom = nullptr;
ipage_neigh = nullptr;
dpage_neigh = nullptr;
// initialize npartner to 0 so neighbor list creation is OK the 1st time
@ -120,13 +120,13 @@ FixNeighHistory::~FixNeighHistory()
// to better detect use-after-delete errors
firstflag = NULL;
firstvalue = NULL;
firstflag = nullptr;
firstvalue = nullptr;
pair = NULL;
npartner = NULL;
partner = NULL;
valuepartner = NULL;
pair = nullptr;
npartner = nullptr;
partner = nullptr;
valuepartner = nullptr;
}
/* ---------------------------------------------------------------------- */
@ -172,7 +172,7 @@ void FixNeighHistory::init()
void FixNeighHistory::allocate_pages()
{
int create = 0;
if (ipage_atom == NULL) create = 1;
if (ipage_atom == nullptr) create = 1;
if (pgsize != neighbor->pgsize) create = 1;
if (oneatom != neighbor->oneatom) create = 1;
@ -279,7 +279,7 @@ void FixNeighHistory::pre_exchange_onesided()
n = npartner[i];
partner[i] = ipage_atom->get(n);
valuepartner[i] = dpage_atom->get(dnum*n);
if (partner[i] == NULL || valuepartner[i] == NULL)
if (partner[i] == nullptr || valuepartner[i] == nullptr)
error->one(FLERR,"Neighbor history overflow, boost neigh_modify one");
}
@ -383,7 +383,7 @@ void FixNeighHistory::pre_exchange_newton()
n = npartner[i];
partner[i] = ipage_atom->get(n);
valuepartner[i] = dpage_atom->get(dnum*n);
if (partner[i] == NULL || valuepartner[i] == NULL) {
if (partner[i] == nullptr || valuepartner[i] == nullptr) {
error->one(FLERR,"Neighbor history overflow, boost neigh_modify one");
}
}
@ -392,7 +392,7 @@ void FixNeighHistory::pre_exchange_newton()
n = npartner[i];
partner[i] = ipage_atom->get(n);
valuepartner[i] = dpage_atom->get(dnum*n);
if (partner[i] == NULL || valuepartner[i] == NULL) {
if (partner[i] == nullptr || valuepartner[i] == nullptr) {
error->one(FLERR,"Neighbor history overflow, boost neigh_modify one");
}
}
@ -506,7 +506,7 @@ void FixNeighHistory::pre_exchange_no_newton()
n = npartner[i];
partner[i] = ipage_atom->get(n);
valuepartner[i] = dpage_atom->get(dnum*n);
if (partner[i] == NULL || valuepartner[i] == NULL)
if (partner[i] == nullptr || valuepartner[i] == nullptr)
error->one(FLERR,"Neighbor history overflow, boost neigh_modify one");
}
@ -864,9 +864,9 @@ int FixNeighHistory::pack_restart(int i, double *buf)
void FixNeighHistory::unpack_restart(int nlocal, int nth)
{
// ipage_atom = NULL if being called from granular pair style init()
// ipage_atom = nullptr if being called from granular pair style init()
if (ipage_atom == NULL) allocate_pages();
if (ipage_atom == nullptr) allocate_pages();
// skip to Nth set of extra values
// unpack the Nth first values this way because other fixes pack them