git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14513 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2016-01-28 21:22:58 +00:00
parent 997ce626ac
commit 237743e6fd
6 changed files with 11 additions and 11 deletions

View File

@ -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;

View File

@ -13,7 +13,7 @@
#ifdef COMPUTE_CLASS
ComputeStyle(meso_e/atom,ComputeMesoEAtom)
ComputeStyle(meso/e/atom,ComputeMesoEAtom)
#else

View File

@ -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;

View File

@ -13,7 +13,7 @@
#ifdef COMPUTE_CLASS
ComputeStyle(meso_rho/atom,ComputeMesoRhoAtom)
ComputeStyle(meso/rho/atom,ComputeMesoRhoAtom)
#else

View File

@ -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");
}
/* ---------------------------------------------------------------------- */

View File

@ -13,7 +13,7 @@
#ifdef COMPUTE_CLASS
ComputeStyle(meso_t/atom,ComputeMesoTAtom)
ComputeStyle(meso/t/atom,ComputeMesoTAtom)
#else