diff --git a/src/BPM/pair_bpm_spring.cpp b/src/BPM/pair_bpm_spring.cpp index 01cee91b4c..3407e0274b 100644 --- a/src/BPM/pair_bpm_spring.cpp +++ b/src/BPM/pair_bpm_spring.cpp @@ -27,7 +27,7 @@ using namespace LAMMPS_NS; /* ---------------------------------------------------------------------- */ -PairBPMSpring::PairBPMSpring(LAMMPS *_lmp) : Pair(_lmp) +PairBPMSpring::PairBPMSpring(LAMMPS *_lmp) : Pair(_lmp), k(nullptr), cut(nullptr), gamma(nullptr) { writedata = 1; } @@ -210,7 +210,7 @@ void PairBPMSpring::coeff(int narg, char **arg) void PairBPMSpring::init_style() { if (comm->ghost_velocity == 0) - error->all(FLERR,"Pair bpm/spring requires ghost atoms store velocity"); + error->all(FLERR, "Pair bpm/spring requires ghost atoms store velocity"); neighbor->add_request(this); } diff --git a/src/CG-SPICA/angle_spica.cpp b/src/CG-SPICA/angle_spica.cpp index bf86a6ec45..e315e20f13 100644 --- a/src/CG-SPICA/angle_spica.cpp +++ b/src/CG-SPICA/angle_spica.cpp @@ -44,8 +44,8 @@ static constexpr double SMALL = 0.001; /* ---------------------------------------------------------------------- */ AngleSPICA::AngleSPICA(LAMMPS *lmp) : - Angle(lmp), k(nullptr), theta0(nullptr), lj_type(nullptr), lj1(nullptr), lj2(nullptr), - lj3(nullptr), lj4(nullptr), rminsq(nullptr), emin(nullptr) + Angle(lmp), k(nullptr), theta0(nullptr), repscale(nullptr), lj_type(nullptr), lj1(nullptr), + lj2(nullptr), lj3(nullptr), lj4(nullptr), rminsq(nullptr), emin(nullptr) { repflag = 0; } diff --git a/src/DPD-BASIC/pair_dpd_coul_slater_long.cpp b/src/DPD-BASIC/pair_dpd_coul_slater_long.cpp index c4af283a9e..665249b0ba 100644 --- a/src/DPD-BASIC/pair_dpd_coul_slater_long.cpp +++ b/src/DPD-BASIC/pair_dpd_coul_slater_long.cpp @@ -42,12 +42,14 @@ static constexpr double EPSILON = 1.0e-10; /* ---------------------------------------------------------------------- */ PairDPDCoulSlaterLong::PairDPDCoulSlaterLong(LAMMPS *lmp) : - Pair(lmp), cut_dpd(nullptr), cut_dpdsq(nullptr), cut_slatersq(nullptr), + Pair(lmp), cut(nullptr), cut_dpd(nullptr), cut_dpdsq(nullptr), cut_slatersq(nullptr), a0(nullptr), gamma(nullptr), sigma(nullptr), random(nullptr) { writedata = 1; ewaldflag = pppmflag = 1; respa_enable = 0; + + cut_global = cut_coul = temperature = 0.0; } /* ---------------------------------------------------------------------- */ diff --git a/src/EXTRA-COMPUTE/compute_born_matrix.cpp b/src/EXTRA-COMPUTE/compute_born_matrix.cpp index 2e674409d1..26dcedcf55 100644 --- a/src/EXTRA-COMPUTE/compute_born_matrix.cpp +++ b/src/EXTRA-COMPUTE/compute_born_matrix.cpp @@ -113,7 +113,8 @@ static int constexpr albemunu[21][4] = { /* ---------------------------------------------------------------------- */ ComputeBornMatrix::ComputeBornMatrix(LAMMPS *lmp, int narg, char **arg) : - Compute(lmp, narg, arg), id_virial(nullptr), temp_x(nullptr), temp_f(nullptr) + Compute(lmp, narg, arg), values_local(nullptr), values_global(nullptr), list(nullptr), + id_virial(nullptr), compute_virial(nullptr), temp_x(nullptr), temp_f(nullptr) { if (narg < 3) error->all(FLERR, "Illegal compute born/matrix command"); diff --git a/src/EXTRA-MOLECULE/bond_harmonic_restrain.cpp b/src/EXTRA-MOLECULE/bond_harmonic_restrain.cpp index 87b6e5a80e..b4fe73c681 100644 --- a/src/EXTRA-MOLECULE/bond_harmonic_restrain.cpp +++ b/src/EXTRA-MOLECULE/bond_harmonic_restrain.cpp @@ -30,7 +30,7 @@ using namespace LAMMPS_NS; /* ---------------------------------------------------------------------- */ -BondHarmonicRestrain::BondHarmonicRestrain(LAMMPS *_lmp) : Bond(_lmp), initial(nullptr) +BondHarmonicRestrain::BondHarmonicRestrain(LAMMPS *_lmp) : Bond(_lmp), k(nullptr), initial(nullptr) { writedata = 0; natoms = -1; diff --git a/src/ML-POD/compute_pod_atom.cpp b/src/ML-POD/compute_pod_atom.cpp index dde7dc7ef7..c35cd70324 100644 --- a/src/ML-POD/compute_pod_atom.cpp +++ b/src/ML-POD/compute_pod_atom.cpp @@ -35,7 +35,8 @@ enum { SCALAR, VECTOR, ARRAY }; ComputePODAtom::ComputePODAtom(LAMMPS *lmp, int narg, char **arg) : Compute(lmp, narg, arg), list(nullptr), podptr(nullptr), pod(nullptr), tmpmem(nullptr), - rij(nullptr), elements(nullptr), map(nullptr) + rij(nullptr), elements(nullptr), map(nullptr), ai(nullptr), aj(nullptr), ti(nullptr), + tj(nullptr) { int nargmin = 6; @@ -167,34 +168,11 @@ void ComputePODAtom::compute_peratom() for (int m = 0; m < Mdesc; m++) { int mk = m + Mdesc*k; pod[i][mk] = pd[k]*bd[m]; - // for (int n=0; n #include +#include #include using namespace LAMMPS_NS; @@ -51,22 +51,23 @@ using MathConst::DEG2RAD; static constexpr double BIG = 1.0e20; -enum{NUMERIC,ATOM,TYPE,ELEMENT,ATTRIBUTE}; -enum{SPHERE,LINE,TRI}; // also in some Body and Fix child classes -enum{STATIC,DYNAMIC}; -enum{NO=0,YES=1}; +enum { NUMERIC, ATOM, TYPE, ELEMENT, ATTRIBUTE }; +enum { SPHERE, LINE, TRI }; // also in some Body and Fix child classes +enum { STATIC, DYNAMIC }; +enum { NO = 0, YES = 1 }; /* ---------------------------------------------------------------------- */ DumpImage::DumpImage(LAMMPS *lmp, int narg, char **arg) : - DumpCustom(lmp, narg, arg), thetastr(nullptr), phistr(nullptr), cxstr(nullptr), - cystr(nullptr), czstr(nullptr), upxstr(nullptr), upystr(nullptr), upzstr(nullptr), - zoomstr(nullptr), diamtype(nullptr), diamelement(nullptr), - bdiamtype(nullptr), colortype(nullptr), colorelement(nullptr), bcolortype(nullptr), - avec_line(nullptr), avec_tri(nullptr), avec_body(nullptr), fixptr(nullptr), image(nullptr), - chooseghost(nullptr), bufcopy(nullptr) + DumpCustom(lmp, narg, arg), thetastr(nullptr), phistr(nullptr), cxstr(nullptr), cystr(nullptr), + czstr(nullptr), upxstr(nullptr), upystr(nullptr), upzstr(nullptr), zoomstr(nullptr), + diamtype(nullptr), diamelement(nullptr), bdiamtype(nullptr), colortype(nullptr), + colorelement(nullptr), bcolortype(nullptr), grid2d(nullptr), grid3d(nullptr), + id_grid_compute(nullptr), id_grid_fix(nullptr), grid_compute(nullptr), grid_fix(nullptr), + gbuf(nullptr), avec_line(nullptr), avec_tri(nullptr), avec_body(nullptr), fixptr(nullptr), + image(nullptr), chooseghost(nullptr), bufcopy(nullptr) { - if (binary || multiproc) error->all(FLERR,"Invalid dump image filename"); + if (binary || multiproc) error->all(FLERR, "Invalid dump image filename"); // force binary flag on to avoid corrupted output on Windows diff --git a/src/fix_ave_grid.cpp b/src/fix_ave_grid.cpp index a1e545a3cf..763fc897ef 100644 --- a/src/fix_ave_grid.cpp +++ b/src/fix_ave_grid.cpp @@ -451,10 +451,10 @@ void FixAveGrid::init() // check that grid sizes for all fields match grid size for this fix if (modegrid) { - Compute *compute; - Fix *fix; - Grid2d *grid2d; - Grid3d *grid3d; + Compute *compute = nullptr; + Fix *fix = nullptr; + Grid2d *grid2d = nullptr; + Grid3d *grid3d = nullptr; int nxtmp,nytmp,nztmp;