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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@595 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2007-06-05 20:03:04 +00:00
parent 4c6adae250
commit 5e75cd9d49
4 changed files with 27 additions and 13 deletions
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24
src/domain.cpp
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@ -11,6 +11,10 @@
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
/* ----------------------------------------------------------------------
Contributing author (triclinic) : Pieter in 't Veld (SNL)
------------------------------------------------------------------------- */
#include "mpi.h"
#include "stdlib.h"
#include "string.h"
@ -645,7 +649,7 @@ void Domain::unmap(double *x, int image)
void Domain::set_lattice(int narg, char **arg)
{
delete lattice;
if (lattice) delete lattice;
lattice = new Lattice(lmp,narg,arg);
if (lattice->style == 0) {
delete lattice;
@ -661,11 +665,7 @@ void Domain::add_region(int narg, char **arg)
{
if (narg < 2) error->all("Illegal region command");
// error checks
for (int iregion = 0; iregion < nregion; iregion++)
if (strcmp(arg[0],regions[iregion]->id) == 0)
error->all("Reuse of region ID");
if (find_region(arg[0]) >= 0) error->all("Reuse of region ID");
// extend Region list if necessary
@ -691,6 +691,18 @@ void Domain::add_region(int narg, char **arg)
nregion++;
}
/* ----------------------------------------------------------------------
return region index if name matches existing region ID
return -1 if no such region
------------------------------------------------------------------------- */
int Domain::find_region(char *name)
{
for (int iregion = 0; iregion < nregion; iregion++)
if (strcmp(name,regions[iregion]->id) == 0) return iregion;
return -1;
}
/* ----------------------------------------------------------------------
boundary settings from the input script
------------------------------------------------------------------------- */