Merge pull request #1559 from akohlmey/validate-more-data-file-numbers (a1a77549) · Commits · 郑智淋 / lammps

src/DIPOLE/atom_vec_dipole.cpp

+1 −1

Original line number	Diff line number	Diff line
		@@ -781,7 +781,7 @@ void AtomVecDipole::data_atom(double coord, imageint imagetmp, char *values)
		int nlocal = atom->nlocal;
		if (nlocal == nmax) grow(0);

		tag[nlocal] = ATOTAGINT(values[0]);
		tag[nlocal] = utils::tnumeric(FLERR,values[0],true,lmp);
		type[nlocal] = utils::inumeric(FLERR,values[1],true,lmp);
		if (type[nlocal] <= 0 \|\| type[nlocal] > atom->ntypes)
		error->one(FLERR,"Invalid atom type in Atoms section of data file");

+1 −1

Original line number	Diff line number	Diff line
		@@ -1724,7 +1724,7 @@ void AtomVecDPDKokkos::data_atom(double *coord, tagint imagetmp,
		int nlocal = atom->nlocal;
		if (nlocal == nmax) grow(0);

		h_tag[nlocal] = ATOTAGINT(values[0]);
		h_tag[nlocal] = utils::tnumeric(FLERR,values[0],true,lmp);
		h_type[nlocal] = utils::inumeric(FLERR,values[1],true,lmp);
		if (type[nlocal] <= 0 \|\| type[nlocal] > atom->ntypes)
		error->one(FLERR,"Invalid atom type in Atoms section of data file");

+1 −1

Original line number	Diff line number	Diff line
		@@ -976,7 +976,7 @@ void AtomVecHybridKokkos::data_atom(double coord, imageint imagetmp, char *val
		int nlocal = atom->nlocal;
		if (nlocal == nmax) grow(0);

		h_tag[nlocal] = ATOTAGINT(values[0]);
		h_tag[nlocal] = utils::tnumeric(FLERR,values[0],true,lmp);
		h_type[nlocal] = utils::inumeric(FLERR,values[1],true,lmp);
		if (h_type[nlocal] <= 0 \|\| h_type[nlocal] > atom->ntypes)
		error->one(FLERR,"Invalid atom h_type in Atoms section of data file");

+1 −1

Original line number	Diff line number	Diff line
		@@ -2549,7 +2549,7 @@ void AtomVecSphereKokkos::data_atom(double coord, imageint imagetmp, char *val
		int nlocal = atom->nlocal;
		if (nlocal == nmax) grow(0);

		tag[nlocal] = ATOTAGINT(values[0]);
		tag[nlocal] = utils::tnumeric(FLERR,values[0],true,lmp);
		type[nlocal] = utils::inumeric(FLERR,values[1],true,lmp);
		if (type[nlocal] <= 0 \|\| type[nlocal] > atom->ntypes)
		error->one(FLERR,"Invalid atom type in Atoms section of data file");

+3 −3

Original line number	Diff line number	Diff line
		@@ -793,8 +793,8 @@ void AtomVecAngle::data_atom(double coord, imageint imagetmp, char *values)
		int nlocal = atom->nlocal;
		if (nlocal == nmax) grow(0);

		tag[nlocal] = ATOTAGINT(values[0]);
		molecule[nlocal] = ATOTAGINT(values[1]);
		tag[nlocal] = utils::tnumeric(FLERR,values[0],true,lmp);
		molecule[nlocal] = utils::tnumeric(FLERR,values[1],true,lmp);
		type[nlocal] = utils::inumeric(FLERR,values[2],true,lmp);
		if (type[nlocal] <= 0 \|\| type[nlocal] > atom->ntypes)
		error->one(FLERR,"Invalid atom type in Atoms section of data file");
		@@ -822,7 +822,7 @@ void AtomVecAngle::data_atom(double coord, imageint imagetmp, char *values)

		int AtomVecAngle::data_atom_hybrid(int nlocal, char **values)
		{
		molecule[nlocal] = ATOTAGINT(values[0]);
		molecule[nlocal] = utils::tnumeric(FLERR,values[0],true,lmp);

		num_bond[nlocal] = 0;
		num_angle[nlocal] = 0;