Initializing pointers in USER-DIFFRACTION and USER-DPD
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@ -49,7 +49,7 @@ static const char cite_compute_saed_c[] =
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/* ---------------------------------------------------------------------- */
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ComputeSAED::ComputeSAED(LAMMPS *lmp, int narg, char **arg) :
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Compute(lmp, narg, arg)
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Compute(lmp, narg, arg), ztype(NULL), store_tmp(NULL)
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{
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if (lmp->citeme) lmp->citeme->add(cite_compute_saed_c);
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@ -50,7 +50,7 @@ static const char cite_compute_xrd_c[] =
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/* ---------------------------------------------------------------------- */
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ComputeXRD::ComputeXRD(LAMMPS *lmp, int narg, char **arg) :
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Compute(lmp, narg, arg)
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Compute(lmp, narg, arg), ztype(NULL), store_tmp(NULL)
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{
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if (lmp->citeme) lmp->citeme->add(cite_compute_xrd_c);
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@ -44,7 +44,8 @@ enum{FIRST,MULTI};
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/* ---------------------------------------------------------------------- */
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FixSAEDVTK::FixSAEDVTK(LAMMPS *lmp, int narg, char **arg) :
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Fix(lmp, narg, arg)
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Fix(lmp, narg, arg), ids(NULL), fp(NULL), vector(NULL),
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vector_total(NULL), vector_list(NULL), compute_saed(NULL), filename(NULL)
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{
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if (narg < 7) error->all(FLERR,"Illegal fix saed/vtk command");
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@ -35,7 +35,7 @@ using namespace LAMMPS_NS;
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/* ---------------------------------------------------------------------- */
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ComputeDpdAtom::ComputeDpdAtom(LAMMPS *lmp, int narg, char **arg) :
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Compute(lmp, narg, arg)
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Compute(lmp, narg, arg), dpdAtom(NULL)
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{
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if (narg != 3) error->all(FLERR,"Illegal compute dpd/atom command");
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@ -43,8 +43,7 @@ ComputeDpdAtom::ComputeDpdAtom(LAMMPS *lmp, int narg, char **arg) :
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size_peratom_cols = 4;
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nmax = 0;
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dpdAtom = NULL;
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if (atom->dpd_flag != 1) error->all(FLERR,"compute dpd requires atom_style with internal temperature and energies (e.g. dpd)");
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}
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@ -31,7 +31,7 @@ using namespace FixConst;
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/* ---------------------------------------------------------------------- */
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FixEOStable::FixEOStable(LAMMPS *lmp, int narg, char **arg) :
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Fix(lmp, narg, arg)
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Fix(lmp, narg, arg), ntables(0), tables(NULL)
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{
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if (narg != 7) error->all(FLERR,"Illegal fix eos/table command");
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restart_peratom = 1;
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@ -34,7 +34,8 @@ using namespace FixConst;
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/* ---------------------------------------------------------------------- */
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FixEOStableRX::FixEOStableRX(LAMMPS *lmp, int narg, char **arg) :
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Fix(lmp, narg, arg)
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Fix(lmp, narg, arg), ntables(0), tables(NULL),
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tables2(NULL), dHf(NULL), eosSpecies(NULL)
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{
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if (narg != 8) error->all(FLERR,"Illegal fix eos/table/rx command");
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restart_peratom = 1;
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@ -60,7 +60,13 @@ double getElapsedTime( const TimerType &t0, const TimerType &t1) { return t1-t0;
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/* ---------------------------------------------------------------------- */
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FixRX::FixRX(LAMMPS *lmp, int narg, char **arg) :
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Fix(lmp, narg, arg)
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Fix(lmp, narg, arg), mol2param(NULL), nreactions(0),
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params(NULL), Arr(NULL), nArr(NULL), Ea(NULL), tempExp(NULL),
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stoich(NULL), stoichReactants(NULL), stoichProducts(NULL), kR(NULL),
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pairDPDE(NULL), dpdThetaLocal(NULL), sumWeights(NULL), sparseKinetics_nu(NULL),
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sparseKinetics_nuk(NULL), sparseKinetics_inu(NULL), sparseKinetics_isIntegralReaction(NULL),
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kineticsFile(NULL), id_fix_species(NULL),
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id_fix_species_old(NULL), fix_species(NULL), fix_species_old(NULL)
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{
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if (narg < 7 || narg > 12) error->all(FLERR,"Illegal fix rx command");
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restart_peratom = 1;
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@ -83,7 +83,7 @@ static const char cite_fix_shardlow[] =
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/* ---------------------------------------------------------------------- */
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FixShardlow::FixShardlow(LAMMPS *lmp, int narg, char **arg) :
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Fix(lmp, narg, arg)
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Fix(lmp, narg, arg), pairDPD(NULL), pairDPDE(NULL), v_t0(NULL)
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{
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if (lmp->citeme) lmp->citeme->add(cite_fix_shardlow);
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@ -54,7 +54,8 @@ static const char cite_pair_multi_lucy[] =
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/* ---------------------------------------------------------------------- */
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PairMultiLucy::PairMultiLucy(LAMMPS *lmp) : Pair(lmp)
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PairMultiLucy::PairMultiLucy(LAMMPS *lmp) : Pair(lmp),
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ntables(0), tables(NULL), tabindex(NULL)
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{
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if (lmp->citeme) lmp->citeme->add(cite_pair_multi_lucy);
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@ -59,7 +59,8 @@ static const char cite_pair_multi_lucy_rx[] =
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/* ---------------------------------------------------------------------- */
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PairMultiLucyRX::PairMultiLucyRX(LAMMPS *lmp) : Pair(lmp)
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PairMultiLucyRX::PairMultiLucyRX(LAMMPS *lmp) : Pair(lmp),
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ntables(0), tables(NULL), tabindex(NULL), site1(NULL), site2(NULL)
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{
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if (lmp->citeme) lmp->citeme->add(cite_pair_multi_lucy_rx);
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