forked from lijiext/lammps
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14513 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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997ce626ac
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@ -28,8 +28,8 @@ using namespace LAMMPS_NS;
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ComputeMesoEAtom::ComputeMesoEAtom(LAMMPS *lmp, int narg, char **arg) :
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Compute(lmp, narg, arg)
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{
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if (narg != 3) error->all(FLERR,"Number of arguments for compute meso_e/atom command != 3");
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if (atom->e_flag != 1) error->all(FLERR,"compute meso_e/atom command requires atom_style with energy (e.g. meso)");
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if (narg != 3) error->all(FLERR,"Number of arguments for compute meso/e/atom command != 3");
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if (atom->e_flag != 1) error->all(FLERR,"compute meso/e/atom command requires atom_style with energy (e.g. meso)");
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peratom_flag = 1;
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size_peratom_cols = 0;
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@ -13,7 +13,7 @@
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#ifdef COMPUTE_CLASS
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ComputeStyle(meso_e/atom,ComputeMesoEAtom)
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ComputeStyle(meso/e/atom,ComputeMesoEAtom)
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#else
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@ -28,8 +28,8 @@ using namespace LAMMPS_NS;
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ComputeMesoRhoAtom::ComputeMesoRhoAtom(LAMMPS *lmp, int narg, char **arg) :
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Compute(lmp, narg, arg)
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{
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if (narg != 3) error->all(FLERR,"Illegal compute meso_rho/atom command");
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if (atom->rho_flag != 1) error->all(FLERR,"compute meso_rho/atom command requires atom_style with density (e.g. meso)");
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if (narg != 3) error->all(FLERR,"Illegal compute meso/rho/atom command");
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if (atom->rho_flag != 1) error->all(FLERR,"compute meso/rho/atom command requires atom_style with density (e.g. meso)");
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peratom_flag = 1;
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size_peratom_cols = 0;
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@ -13,7 +13,7 @@
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#ifdef COMPUTE_CLASS
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ComputeStyle(meso_rho/atom,ComputeMesoRhoAtom)
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ComputeStyle(meso/rho/atom,ComputeMesoRhoAtom)
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#else
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@ -28,9 +28,9 @@ using namespace LAMMPS_NS;
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ComputeMesoTAtom::ComputeMesoTAtom(LAMMPS *lmp, int narg, char **arg) :
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Compute(lmp, narg, arg)
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{
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if (narg != 3) error->all(FLERR,"Number of arguments for compute meso_t/atom command != 3");
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if (narg != 3) error->all(FLERR,"Number of arguments for compute meso/t/atom command != 3");
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if ((atom->e_flag != 1) || (atom->cv_flag != 1))
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error->all(FLERR,"compute meso_e/atom command requires atom_style with both energy and heat capacity (e.g. meso)");
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error->all(FLERR,"Compute meso/t/atom command requires atom_style with both energy and heat capacity (e.g. meso)");
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peratom_flag = 1;
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size_peratom_cols = 0;
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@ -53,9 +53,9 @@ void ComputeMesoTAtom::init()
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int count = 0;
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for (int i = 0; i < modify->ncompute; i++)
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if (strcmp(modify->compute[i]->style,"meso_t/atom") == 0) count++;
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if (strcmp(modify->compute[i]->style,"meso/t/atom") == 0) count++;
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if (count > 1 && comm->me == 0)
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error->warning(FLERR,"More than one compute meso_t/atom");
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error->warning(FLERR,"More than one compute meso/t/atom");
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}
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/* ---------------------------------------------------------------------- */
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@ -13,7 +13,7 @@
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#ifdef COMPUTE_CLASS
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ComputeStyle(meso_t/atom,ComputeMesoTAtom)
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ComputeStyle(meso/t/atom,ComputeMesoTAtom)
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#else
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