replace some numeric constants in Atom and AtomVec classes with enumerators (9d0c3bc6) · Commits · 郑智淋 / lammps

src/DIPOLE/atom_vec_dipole.cpp

+2 −2

Original line number	Diff line number	Diff line
		@@ -23,8 +23,8 @@ using namespace LAMMPS_NS;

		AtomVecDipole::AtomVecDipole(LAMMPS *lmp) : AtomVec(lmp)
		{
		molecular = 0;
		mass_type = 1;
		molecular = Atom::ATOMIC;
		mass_type = PER_TYPE;

		atom->q_flag = atom->mu_flag = 1;

+1 −1

Original line number	Diff line number	Diff line
		@@ -221,7 +221,7 @@ void FixGPU::init()
		{
		// GPU package cannot be used with atom_style template

		if (atom->molecular == 2)
		if (atom->molecular == Atom::TEMPLATE)
		error->all(FLERR,"GPU package does not (yet) work with "
		"atom_style template");

+2 −2

Original line number	Diff line number	Diff line
		@@ -179,9 +179,9 @@ void PairLJCutTIP4PLongGPU::init_style()
		if (force->angle == NULL)
		error->all(FLERR,"Must use an angle style with TIP4P potential");

		if (atom->map_style == 2)
		if (atom->map_style == Atom::MAP_HASH)
		error->all(FLERR,"GPU-accelerated lj/cut/tip4p/long currently"
		" requires map style 'array' (atom_modify map array)");
		" requires 'array' style atom map (atom_modify map array)");

		//PairLJCutCoulLong::init_style();
		// Repeat cutsq calculation because done after call to init_style

+3 −3

Original line number	Diff line number	Diff line
		@@ -135,7 +135,7 @@ FixPour::FixPour(LAMMPS lmp, int narg, char *arg) :
		ntype+onemols[i]->ntypes > atom->ntypes)
		error->all(FLERR,"Invalid atom type in fix pour mol command");

		if (atom->molecular == 2 && onemols != atom->avec->onemols)
		if (atom->molecular == Atom::TEMPLATE && onemols != atom->avec->onemols)
		error->all(FLERR,"Fix pour molecule template ID must be same "
		"as atom style template ID");
		onemols[i]->check_attributes(0);
		@@ -644,7 +644,7 @@ void FixPour::pre_exchange()
		atom->molecule[n] = maxmol_all+1;
		}
		}
		if (atom->molecular == 2) {
		if (atom->molecular == Atom::TEMPLATE) {
		atom->molindex[n] = 0;
		atom->molatom[n] = m;
		}
		@@ -712,7 +712,7 @@ void FixPour::pre_exchange()
		}
		if (maxtag_all >= MAXTAGINT)
		error->all(FLERR,"New atom IDs exceed maximum allowed ID");
		if (atom->map_style) {
		if (atom->map_style != Atom::MAP_NONE) {
		atom->map_init();
		atom->map_set();
		}

+4 −4

Original line number	Diff line number	Diff line
		@@ -409,8 +409,8 @@ FixWallGran::FixWallGran(LAMMPS lmp, int narg, char *arg) :

		history_one = NULL;
		grow_arrays(atom->nmax);
		atom->add_callback(0);
		atom->add_callback(1);
		atom->add_callback(Atom::GROW);
		atom->add_callback(Atom::RESTART);

		nmax = 0;
		mass_rigid = NULL;
		@@ -438,8 +438,8 @@ FixWallGran::~FixWallGran()
		{
		// unregister callbacks to this fix from Atom class

		atom->delete_callback(id,0);
		atom->delete_callback(id,1);
		atom->delete_callback(id,Atom::GROW);
		atom->delete_callback(id,Atom::RESTART);

		// delete local storage