(237743e6) · Commits · 郑智淋 / lammps

src/USER-SPH/compute_meso_e_atom.cpp

+2 −2

Original line number	Diff line number	Diff line
		@@ -28,8 +28,8 @@ using namespace LAMMPS_NS;
		ComputeMesoEAtom::ComputeMesoEAtom(LAMMPS lmp, int narg, char *arg) :
		Compute(lmp, narg, arg)
		{
		if (narg != 3) error->all(FLERR,"Number of arguments for compute meso_e/atom command != 3");
		if (atom->e_flag != 1) error->all(FLERR,"compute meso_e/atom command requires atom_style with energy (e.g. meso)");
		if (narg != 3) error->all(FLERR,"Number of arguments for compute meso/e/atom command != 3");
		if (atom->e_flag != 1) error->all(FLERR,"compute meso/e/atom command requires atom_style with energy (e.g. meso)");

		peratom_flag = 1;
		size_peratom_cols = 0;

+1 −1

Original line number	Diff line number	Diff line
		@@ -13,7 +13,7 @@

		#ifdef COMPUTE_CLASS

		ComputeStyle(meso_e/atom,ComputeMesoEAtom)
		ComputeStyle(meso/e/atom,ComputeMesoEAtom)

		#else

+2 −2

Original line number	Diff line number	Diff line
		@@ -28,8 +28,8 @@ using namespace LAMMPS_NS;
		ComputeMesoRhoAtom::ComputeMesoRhoAtom(LAMMPS lmp, int narg, char *arg) :
		Compute(lmp, narg, arg)
		{
		if (narg != 3) error->all(FLERR,"Illegal compute meso_rho/atom command");
		if (atom->rho_flag != 1) error->all(FLERR,"compute meso_rho/atom command requires atom_style with density (e.g. meso)");
		if (narg != 3) error->all(FLERR,"Illegal compute meso/rho/atom command");
		if (atom->rho_flag != 1) error->all(FLERR,"compute meso/rho/atom command requires atom_style with density (e.g. meso)");

		peratom_flag = 1;
		size_peratom_cols = 0;

+1 −1

Original line number	Diff line number	Diff line
		@@ -13,7 +13,7 @@

		#ifdef COMPUTE_CLASS

		ComputeStyle(meso_rho/atom,ComputeMesoRhoAtom)
		ComputeStyle(meso/rho/atom,ComputeMesoRhoAtom)

		#else

+4 −4

Original line number	Diff line number	Diff line
		@@ -28,9 +28,9 @@ using namespace LAMMPS_NS;
		ComputeMesoTAtom::ComputeMesoTAtom(LAMMPS lmp, int narg, char *arg) :
		Compute(lmp, narg, arg)
		{
		if (narg != 3) error->all(FLERR,"Number of arguments for compute meso_t/atom command != 3");
		if (narg != 3) error->all(FLERR,"Number of arguments for compute meso/t/atom command != 3");
		if ((atom->e_flag != 1) \|\| (atom->cv_flag != 1))
		error->all(FLERR,"compute meso_e/atom command requires atom_style with both energy and heat capacity (e.g. meso)");
		error->all(FLERR,"Compute meso/t/atom command requires atom_style with both energy and heat capacity (e.g. meso)");

		peratom_flag = 1;
		size_peratom_cols = 0;
		@@ -53,9 +53,9 @@ void ComputeMesoTAtom::init()

		int count = 0;
		for (int i = 0; i < modify->ncompute; i++)
		if (strcmp(modify->compute[i]->style,"meso_t/atom") == 0) count++;
		if (strcmp(modify->compute[i]->style,"meso/t/atom") == 0) count++;
		if (count > 1 && comm->me == 0)
		error->warning(FLERR,"More than one compute meso_t/atom");
		error->warning(FLERR,"More than one compute meso/t/atom");
		}

		/* ---------------------------------------------------------------------- */