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make sure virial array is initialized in the constructor to avoid uninitialized access

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This commit is contained in:
Axel Kohlmeyer
2024-08-02 17:18:09 -04:00
parent 0abc4f3464
commit a905c9fd32
2 changed files with 12 additions and 14 deletions
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9
src/bond.cpp
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@ -36,12 +36,13 @@ int Bond::instance_total = 0;
a particular bond style can override this a particular bond style can override this
------------------------------------------------------------------------- */ ------------------------------------------------------------------------- */
Bond::Bond(LAMMPS *_lmp) : Pointers(_lmp) Bond::Bond(LAMMPS *_lmp) :
Pointers(_lmp), virial{0.0, 0.0, 0.0, 0.0, 0.0, 0.0}, eatom(nullptr), vatom(nullptr),
setflag(nullptr), svector(nullptr)
{ {
instance_me = instance_total++; instance_me = instance_total++;
energy = 0.0; energy = 0.0;
virial[0] = virial[1] = virial[2] = virial[3] = virial[4] = virial[5] = 0.0;
writedata = 1; writedata = 1;
reinitflag = 1; reinitflag = 1;
@ -53,12 +54,8 @@ Bond::Bond(LAMMPS *_lmp) : Pointers(_lmp)
partial_flag = 0; partial_flag = 0;
single_extra = 0; single_extra = 0;
svector = nullptr;
maxeatom = maxvatom = 0; maxeatom = maxvatom = 0;
eatom = nullptr;
vatom = nullptr;
setflag = nullptr;
execution_space = Host; execution_space = Host;
datamask_read = ALL_MASK; datamask_read = ALL_MASK;

17
src/pair.cpp
View File

@ -53,14 +53,15 @@ int Pair::instance_total = 0;
/* ---------------------------------------------------------------------- */ /* ---------------------------------------------------------------------- */
Pair::Pair(LAMMPS *lmp) : Pair::Pair(LAMMPS *lmp) :
Pointers(lmp), eatom(nullptr), vatom(nullptr), cvatom(nullptr), cutsq(nullptr), Pointers(lmp), virial{0.0, 0.0, 0.0, 0.0, 0.0, 0.0}, eatom(nullptr), vatom(nullptr),
setflag(nullptr), cutghost(nullptr), rtable(nullptr), drtable(nullptr), ftable(nullptr), cvatom(nullptr), cutsq(nullptr), setflag(nullptr), cutghost(nullptr), rtable(nullptr),
dftable(nullptr), ctable(nullptr), dctable(nullptr), etable(nullptr), detable(nullptr), drtable(nullptr), ftable(nullptr), dftable(nullptr), ctable(nullptr), dctable(nullptr),
ptable(nullptr), dptable(nullptr), vtable(nullptr), dvtable(nullptr), rdisptable(nullptr), etable(nullptr), detable(nullptr), ptable(nullptr), dptable(nullptr), vtable(nullptr),
drdisptable(nullptr), fdisptable(nullptr), dfdisptable(nullptr), edisptable(nullptr), dvtable(nullptr), rdisptable(nullptr), drdisptable(nullptr), fdisptable(nullptr),
dedisptable(nullptr), pvector(nullptr), svector(nullptr), list(nullptr), listhalf(nullptr), dfdisptable(nullptr), edisptable(nullptr), dedisptable(nullptr), pvector(nullptr),
listfull(nullptr), list_tally_compute(nullptr), elements(nullptr), elem1param(nullptr), svector(nullptr), list(nullptr), listhalf(nullptr), listfull(nullptr),
elem2param(nullptr), elem3param(nullptr), map(nullptr) list_tally_compute(nullptr), elements(nullptr), elem1param(nullptr), elem2param(nullptr),
elem3param(nullptr), map(nullptr)
{ {
instance_me = instance_total++; instance_me = instance_total++;