forked from lijiext/lammps
Fixed initialization of arrays in fixes
This commit is contained in:
parent
0192d2e359
commit
db077ef186
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@ -31,7 +31,8 @@ int Fix::instance_total = 0;
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/* ---------------------------------------------------------------------- */
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/* ---------------------------------------------------------------------- */
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Fix::Fix(LAMMPS *lmp, int narg, char **arg) : Pointers(lmp)
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Fix::Fix(LAMMPS *lmp, int narg, char **arg) : Pointers(lmp),
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id(NULL), style(NULL), eatom(NULL), vatom(NULL)
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{
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{
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instance_me = instance_total++;
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instance_me = instance_total++;
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@ -92,8 +93,6 @@ Fix::Fix(LAMMPS *lmp, int narg, char **arg) : Pointers(lmp)
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// which may occur outside of timestepping
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// which may occur outside of timestepping
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maxeatom = maxvatom = 0;
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maxeatom = maxvatom = 0;
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eatom = NULL;
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vatom = NULL;
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vflag_atom = 0;
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vflag_atom = 0;
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// CUDA and KOKKOS per-fix data masks
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// CUDA and KOKKOS per-fix data masks
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@ -40,7 +40,8 @@ enum{DIAMETER,CHARGE};
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/* ---------------------------------------------------------------------- */
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/* ---------------------------------------------------------------------- */
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FixAdapt::FixAdapt(LAMMPS *lmp, int narg, char **arg) : Fix(lmp, narg, arg)
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FixAdapt::FixAdapt(LAMMPS *lmp, int narg, char **arg) : Fix(lmp, narg, arg),
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nadapt(0), id_fix_diam(NULL), id_fix_chg(NULL), adapt(NULL)
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{
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{
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if (narg < 5) error->all(FLERR,"Illegal fix adapt command");
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if (narg < 5) error->all(FLERR,"Illegal fix adapt command");
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nevery = force->inumeric(FLERR,arg[3]);
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nevery = force->inumeric(FLERR,arg[3]);
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@ -159,8 +160,6 @@ FixAdapt::FixAdapt(LAMMPS *lmp, int narg, char **arg) : Fix(lmp, narg, arg)
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for (int m = 0; m < nadapt; m++)
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for (int m = 0; m < nadapt; m++)
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if (adapt[m].which == PAIR)
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if (adapt[m].which == PAIR)
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memory->create(adapt[m].array_orig,n+1,n+1,"adapt:array_orig");
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memory->create(adapt[m].array_orig,n+1,n+1,"adapt:array_orig");
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id_fix_diam = id_fix_chg = NULL;
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}
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}
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/* ---------------------------------------------------------------------- */
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/* ---------------------------------------------------------------------- */
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@ -36,7 +36,9 @@ enum{NONE,CONSTANT,EQUAL,ATOM};
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/* ---------------------------------------------------------------------- */
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/* ---------------------------------------------------------------------- */
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FixAddForce::FixAddForce(LAMMPS *lmp, int narg, char **arg) :
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FixAddForce::FixAddForce(LAMMPS *lmp, int narg, char **arg) :
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Fix(lmp, narg, arg)
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Fix(lmp, narg, arg),
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xstr(NULL), ystr(NULL), zstr(NULL), estr(NULL), idregion(NULL), sforce(NULL)
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{
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{
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if (narg < 6) error->all(FLERR,"Illegal fix addforce command");
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if (narg < 6) error->all(FLERR,"Illegal fix addforce command");
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@ -81,8 +83,6 @@ FixAddForce::FixAddForce(LAMMPS *lmp, int narg, char **arg) :
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nevery = 1;
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nevery = 1;
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iregion = -1;
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iregion = -1;
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idregion = NULL;
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estr = NULL;
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int iarg = 6;
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int iarg = 6;
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while (iarg < narg) {
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while (iarg < narg) {
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@ -35,7 +35,8 @@ enum{X,V,F,COMPUTE,FIX,VARIABLE};
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/* ---------------------------------------------------------------------- */
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/* ---------------------------------------------------------------------- */
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FixAveAtom::FixAveAtom(LAMMPS *lmp, int narg, char **arg) :
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FixAveAtom::FixAveAtom(LAMMPS *lmp, int narg, char **arg) :
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Fix(lmp, narg, arg)
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Fix(lmp, narg, arg),
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nvalues(0), which(NULL), argindex(NULL), ids(NULL), value2index(NULL), array(NULL)
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{
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{
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if (narg < 7) error->all(FLERR,"Illegal fix ave/atom command");
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if (narg < 7) error->all(FLERR,"Illegal fix ave/atom command");
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@ -192,7 +193,6 @@ FixAveAtom::FixAveAtom(LAMMPS *lmp, int narg, char **arg) :
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// perform initial allocation of atom-based array
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// perform initial allocation of atom-based array
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// register with Atom class
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// register with Atom class
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array = NULL;
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grow_arrays(atom->nmax);
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grow_arrays(atom->nmax);
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atom->add_callback(0);
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atom->add_callback(0);
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@ -44,7 +44,9 @@ enum{AUTO,UPPER,LOWER,AUTOUPPER,AUTOLOWER,FULL};
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/* ---------------------------------------------------------------------- */
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/* ---------------------------------------------------------------------- */
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FixAveCorrelate::FixAveCorrelate(LAMMPS * lmp, int narg, char **arg):
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FixAveCorrelate::FixAveCorrelate(LAMMPS * lmp, int narg, char **arg):
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Fix (lmp, narg, arg)
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Fix (lmp, narg, arg),
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nvalues(0), which(NULL), argindex(NULL), value2index(NULL), ids(NULL), fp(NULL),
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count(NULL), values(NULL), corr(NULL), save_count(NULL), save_corr(NULL)
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{
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{
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if (narg < 7) error->all(FLERR,"Illegal fix ave/correlate command");
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if (narg < 7) error->all(FLERR,"Illegal fix ave/correlate command");
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@ -45,7 +45,9 @@ enum{IGNORE,END,EXTRA};
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/* ---------------------------------------------------------------------- */
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/* ---------------------------------------------------------------------- */
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FixAveHisto::FixAveHisto(LAMMPS *lmp, int narg, char **arg) :
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FixAveHisto::FixAveHisto(LAMMPS *lmp, int narg, char **arg) :
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Fix(lmp, narg, arg)
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Fix(lmp, narg, arg),
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nvalues(0), which(NULL), argindex(NULL), value2index(NULL), ids(NULL), fp(NULL), stats_list(NULL),
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bin(NULL), bin_total(NULL), bin_all(NULL), bin_list(NULL), coord(NULL), vector(NULL)
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{
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{
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if (narg < 10) error->all(FLERR,"Illegal fix ave/histo command");
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if (narg < 10) error->all(FLERR,"Illegal fix ave/histo command");
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@ -42,7 +42,10 @@ enum{SCALAR,VECTOR};
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/* ---------------------------------------------------------------------- */
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/* ---------------------------------------------------------------------- */
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FixAveTime::FixAveTime(LAMMPS *lmp, int narg, char **arg) :
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FixAveTime::FixAveTime(LAMMPS *lmp, int narg, char **arg) :
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Fix(lmp, narg, arg)
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Fix(lmp, narg, arg),
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nvalues(0), which(NULL), argindex(NULL), value2index(NULL), offcol(NULL), varlen(NULL), ids(NULL),
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fp(NULL), offlist(NULL), format(NULL), format_user(NULL), vector(NULL), vector_total(NULL), vector_list(NULL),
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column(NULL), array(NULL), array_total(NULL), array_list(NULL)
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{
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{
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if (narg < 7) error->all(FLERR,"Illegal fix ave/time command");
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if (narg < 7) error->all(FLERR,"Illegal fix ave/time command");
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@ -34,7 +34,8 @@ enum{NONE,CONSTANT,EQUAL};
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/* ---------------------------------------------------------------------- */
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/* ---------------------------------------------------------------------- */
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FixAveForce::FixAveForce(LAMMPS *lmp, int narg, char **arg) :
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FixAveForce::FixAveForce(LAMMPS *lmp, int narg, char **arg) :
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Fix(lmp, narg, arg)
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Fix(lmp, narg, arg),
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xstr(NULL), ystr(NULL), zstr(NULL), idregion(NULL)
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{
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{
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if (narg < 6) error->all(FLERR,"Illegal fix aveforce command");
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if (narg < 6) error->all(FLERR,"Illegal fix aveforce command");
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