forked from lijiext/lammps
Initializing pointers in PERI, QEQ and REPLICA
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77bbf03f0f
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@ -32,7 +32,7 @@ using namespace LAMMPS_NS;
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/* ---------------------------------------------------------------------- */
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ComputeDamageAtom::ComputeDamageAtom(LAMMPS *lmp, int narg, char **arg) :
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Compute(lmp, narg, arg)
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Compute(lmp, narg, arg), damage(NULL)
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{
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if (narg != 3) error->all(FLERR,"Illegal compute damage/atom command");
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@ -40,7 +40,6 @@ ComputeDamageAtom::ComputeDamageAtom(LAMMPS *lmp, int narg, char **arg) :
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size_peratom_cols = 0;
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nmax = 0;
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damage = NULL;
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}
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/* ---------------------------------------------------------------------- */
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@ -46,7 +46,11 @@ using namespace FixConst;
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/* ---------------------------------------------------------------------- */
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FixQEq::FixQEq(LAMMPS *lmp, int narg, char **arg) :
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Fix(lmp, narg, arg)
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Fix(lmp, narg, arg), list(NULL), chi(NULL), eta(NULL),
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gamma(NULL), zeta(NULL), zcore(NULL), chizj(NULL), shld(NULL),
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s(NULL), t(NULL), s_hist(NULL), t_hist(NULL), Hdia_inv(NULL), b_s(NULL),
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b_t(NULL), p(NULL), q(NULL), r(NULL), d(NULL),
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qf(NULL), q1(NULL), q2(NULL), qv(NULL)
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{
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if (narg < 8) error->all(FLERR,"Illegal fix qeq command");
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@ -36,7 +36,7 @@ using namespace LAMMPS_NS;
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/* ---------------------------------------------------------------------- */
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ComputeEventDisplace::ComputeEventDisplace(LAMMPS *lmp, int narg, char **arg) :
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Compute(lmp, narg, arg)
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Compute(lmp, narg, arg), id_event(NULL), fix_event(NULL)
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{
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if (narg != 4) error->all(FLERR,"Illegal compute event/displace command");
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@ -33,7 +33,8 @@ using namespace FixConst;
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/* ---------------------------------------------------------------------- */
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FixEvent::FixEvent(LAMMPS *lmp, int narg, char **arg) :
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Fix(lmp, narg, arg)
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Fix(lmp, narg, arg), xevent(NULL), xold(NULL), vold(NULL),
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imageold(NULL), xorig(NULL), vorig(NULL), imageorig(NULL)
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{
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if (narg != 3) error->all(FLERR,"Illegal fix event command");
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@ -42,14 +43,6 @@ FixEvent::FixEvent(LAMMPS *lmp, int narg, char **arg) :
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// perform initial allocation of atom-based array
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// register with Atom class
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xevent = NULL;
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xold = NULL;
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vold = NULL;
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imageold = NULL;
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xorig = NULL;
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vorig = NULL;
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imageorig = NULL;
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grow_arrays(atom->nmax);
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atom->add_callback(0);
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}
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@ -36,7 +36,10 @@ enum{SINGLE_PROC_DIRECT,SINGLE_PROC_MAP,MULTI_PROC};
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/* ---------------------------------------------------------------------- */
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FixNEB::FixNEB(LAMMPS *lmp, int narg, char **arg) :
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Fix(lmp, narg, arg)
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Fix(lmp, narg, arg), id_pe(NULL), pe(NULL), xprev(NULL), xnext(NULL),
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tangent(NULL), xsend(NULL), xrecv(NULL), tagsend(NULL), tagrecv(NULL),
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xsendall(NULL), xrecvall(NULL), tagsendall(NULL), tagrecvall(NULL),
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counts(NULL), displacements(NULL)
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{
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if (narg != 4) error->all(FLERR,"Illegal fix neb command");
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@ -43,7 +43,7 @@ using namespace LAMMPS_NS;
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/* ---------------------------------------------------------------------- */
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VerletSplit::VerletSplit(LAMMPS *lmp, int narg, char **arg) :
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Verlet(lmp, narg, arg)
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Verlet(lmp, narg, arg), qsize(NULL), qdisp(NULL), xsize(NULL), xdisp(NULL), f_kspace(NULL)
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{
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// error checks on partitions
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