diff --git a/src/MISC/fix_ttm.cpp b/src/MISC/fix_ttm.cpp index f5157139bacb525e5b3cb2fa16673c46adecf97d..1461a0707dd34f33c2c745a3fc70da1729a42aa2 100644 --- a/src/MISC/fix_ttm.cpp +++ b/src/MISC/fix_ttm.cpp @@ -87,7 +87,8 @@ FixTTM::FixTTM(LAMMPS *lmp, int narg, char **arg) : // error check - if (seed <= 0) error->all(FLERR,"Invalid random number seed in fix ttm command"); + if (seed <= 0) + error->all(FLERR,"Invalid random number seed in fix ttm command"); if (electronic_specific_heat <= 0.0) error->all(FLERR,"Fix ttm electronic_specific_heat must be > 0.0"); if (electronic_density <= 0.0) @@ -342,7 +343,8 @@ void FixTTM::read_initial_electron_temperatures() while (1) { if (fgets(line,MAXLINE,fpr) == NULL) break; sscanf(line,"%d %d %d %lg",&ixnode,&iynode,&iznode,&T_tmp); - if (T_tmp < 0.0) error->one(FLERR,"Fix ttm electron temperatures must be > 0.0"); + if (T_tmp < 0.0) + error->one(FLERR,"Fix ttm electron temperatures must be > 0.0"); T_electron[ixnode][iynode][iznode] = T_tmp; T_initial_set[ixnode][iynode][iznode] = 1; } diff --git a/src/compute_angle_local.cpp b/src/compute_angle_local.cpp index c9d4c00a67c116f768dfbf23beeba815b04dd319..c5478780ae6e9e97ae91988d986ba4e9e185c60f 100644 --- a/src/compute_angle_local.cpp +++ b/src/compute_angle_local.cpp @@ -162,8 +162,8 @@ int ComputeAngleLocal::compute_angles(int flag) atom3 = atom->map(angle_atom3[atom2][i]); } else { if (tag[atom2] != onemols[imol]->angle_atom2[atom2][i]) continue; + atype = onemols[imol]->angle_type[atom2][i]; tagprev = tag[atom2] - iatom - 1; - atype = atom->map(onemols[imol]->angle_type[atom2][i]); atom1 = atom->map(onemols[imol]->angle_atom1[atom2][i]+tagprev); atom3 = atom->map(onemols[imol]->angle_atom3[atom2][i]+tagprev); } diff --git a/src/compute_bond_local.cpp b/src/compute_bond_local.cpp index 6fb1b689b68efd693c24230dbce0a76243d410e3..7008d81241730d7101d60fc3b1a0019de6bc3965 100644 --- a/src/compute_bond_local.cpp +++ b/src/compute_bond_local.cpp @@ -156,7 +156,7 @@ int ComputeBondLocal::compute_bonds(int flag) atom2 = atom->map(bond_atom[atom1][i]); } else { tagprev = tag[atom1] - iatom - 1; - btype = atom->map(onemols[imol]->bond_type[iatom][i]); + btype = onemols[imol]->bond_type[iatom][i]; atom2 = atom->map(onemols[imol]->bond_atom[iatom][i]+tagprev); } diff --git a/src/math_extra.h b/src/math_extra.h index 3c00f7a4fcbd11f3e45486dd8020d4d4b1dcfffc..75dd4928454af9877c074020e0116a66a98e32c3 100755 --- a/src/math_extra.h +++ b/src/math_extra.h @@ -228,7 +228,8 @@ inline void MathExtra::add3(const double *v1, const double *v2, double *ans) ans = s*v1 + v2 ------------------------------------------------------------------------- */ -inline void MathExtra::scaleadd3(double s, const double *v1, const double *v2, double *ans) +inline void MathExtra::scaleadd3(double s, const double *v1, + const double *v2, double *ans) { ans[0] = s*v1[0] + v2[0]; ans[1] = s*v1[1] + v2[1];