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initialized all class member pointer to NULL

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This commit is contained in:
Axel Kohlmeyer
2023-12-17 11:00:32 -05:00
parent f67b045f02
commit 1b9e33a17f
1 changed files with 11 additions and 3 deletions
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14
src/MC/fix_hmc.cpp
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@ -20,6 +20,7 @@
------------------------------------------------------------------------- */
#include "fix_hmc.h"
#include "angle.h"
#include "atom.h"
#include "atom_vec.h"
@ -55,7 +56,14 @@ enum { ATOMS, VCM_OMEGA, XCM, ITENSOR, ROTATION, FORCE_TORQUE };
/* ---------------------------------------------------------------------- */
FixHMC::FixHMC(LAMMPS *lmp, int narg, char **arg) : Fix(lmp, narg, arg), random_equal(nullptr)
FixHMC::FixHMC(LAMMPS *lmp, int narg, char **arg) :
Fix(lmp, narg, arg), stored_bodyown(nullptr), stored_bodytag(nullptr),
stored_atom2body(nullptr), stored_xcmimage(nullptr), stored_displace(nullptr),
stored_eflags(nullptr), stored_orient(nullptr), stored_dorient(nullptr), mdi(nullptr),
fix_nve(nullptr), fix_rigid(nullptr), random(nullptr), random_equal(nullptr), rev_comm(nullptr),
eatom(nullptr), eatomptr(nullptr), eglobal(nullptr), eglobalptr(nullptr), vglobal(nullptr),
vglobalptr(nullptr), vatom(nullptr), vatomptr(nullptr), pe(nullptr), ke(nullptr),
peatom(nullptr), press(nullptr), pressatom(nullptr)
{
// set defaults
mom_flag = 1;
@ -193,7 +201,8 @@ void FixHMC::post_constructor()
template <typename T>
void FixHMC::store_peratom_member(Atom::PerAtom &stored_peratom_member,
Atom::PerAtom current_peratom_member, int ntotal, int nmax, int realloc)
Atom::PerAtom current_peratom_member, int ntotal, int nmax,
int realloc)
{
if (stored_peratom_member.name.compare(current_peratom_member.name)) {
error->all(FLERR, "fix hmc tried to store incorrect peratom data");
@ -700,7 +709,6 @@ void FixHMC::save_current_state()
}
}
// also reallocate if the number of peratoms has changed
if (current_peratom.size() != stored_peratom.size()) reallocate_peratoms = true;