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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7003 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2011-09-23 18:06:55 +00:00
parent 2d99de131d
commit 19e8c92a90
468 changed files with 4628 additions and 5204 deletions
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29
src/region_prism.cpp
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@ -27,9 +27,6 @@ using namespace LAMMPS_NS;
#define BIG 1.0e20
#define MIN(A,B) ((A) < (B)) ? (A) : (B)
#define MAX(A,B) ((A) > (B)) ? (A) : (B)
/* ---------------------------------------------------------------------- */
RegPrism::RegPrism(LAMMPS *lmp, int narg, char **arg) : Region(lmp, narg, arg)
@ -38,42 +35,42 @@ RegPrism::RegPrism(LAMMPS *lmp, int narg, char **arg) : Region(lmp, narg, arg)
if (strcmp(arg[2],"INF") == 0 || strcmp(arg[2],"EDGE") == 0) {
if (domain->box_exist == 0)
error->all("Cannot use region INF or EDGE when box does not exist");
error->all(FLERR,"Cannot use region INF or EDGE when box does not exist");
if (strcmp(arg[2],"INF") == 0) xlo = -BIG;
else xlo = domain->boxlo[0];
} else xlo = xscale*atof(arg[2]);
if (strcmp(arg[3],"INF") == 0 || strcmp(arg[3],"EDGE") == 0) {
if (domain->box_exist == 0)
error->all("Cannot use region INF or EDGE when box does not exist");
error->all(FLERR,"Cannot use region INF or EDGE when box does not exist");
if (strcmp(arg[3],"INF") == 0) xhi = BIG;
else xhi = domain->boxhi[0];
} else xhi = xscale*atof(arg[3]);
if (strcmp(arg[4],"INF") == 0 || strcmp(arg[4],"EDGE") == 0) {
if (domain->box_exist == 0)
error->all("Cannot use region INF or EDGE when box does not exist");
error->all(FLERR,"Cannot use region INF or EDGE when box does not exist");
if (strcmp(arg[4],"INF") == 0) ylo = -BIG;
else ylo = domain->boxlo[1];
} else ylo = yscale*atof(arg[4]);
if (strcmp(arg[5],"INF") == 0 || strcmp(arg[5],"EDGE") == 0) {
if (domain->box_exist == 0)
error->all("Cannot use region INF or EDGE when box does not exist");
error->all(FLERR,"Cannot use region INF or EDGE when box does not exist");
if (strcmp(arg[5],"INF") == 0) yhi = BIG;
else yhi = domain->boxhi[1];
} else yhi = yscale*atof(arg[5]);
if (strcmp(arg[6],"INF") == 0 || strcmp(arg[6],"EDGE") == 0) {
if (domain->box_exist == 0)
error->all("Cannot use region INF or EDGE when box does not exist");
error->all(FLERR,"Cannot use region INF or EDGE when box does not exist");
if (strcmp(arg[6],"INF") == 0) zlo = -BIG;
else zlo = domain->boxlo[2];
} else zlo = zscale*atof(arg[6]);
if (strcmp(arg[7],"INF") == 0 || strcmp(arg[7],"EDGE") == 0) {
if (domain->box_exist == 0)
error->all("Cannot use region INF or EDGE when box does not exist");
error->all(FLERR,"Cannot use region INF or EDGE when box does not exist");
if (strcmp(arg[7],"INF") == 0) zhi = BIG;
else zhi = domain->boxhi[2];
} else zhi = zscale*atof(arg[7]);
@ -87,22 +84,22 @@ RegPrism::RegPrism(LAMMPS *lmp, int narg, char **arg) : Region(lmp, narg, arg)
// non-zero tilt values cannot be used if either dim is INF on both ends
if (xlo >= xhi || ylo >= yhi || zlo >= zhi)
error->all("Illegal region prism command");
error->all(FLERR,"Illegal region prism command");
if (xy != 0.0 && xlo == -BIG && xhi == BIG)
error->all("Illegal region prism command");
error->all(FLERR,"Illegal region prism command");
if (xy != 0.0 && ylo == -BIG && yhi == BIG)
error->all("Illegal region prism command");
error->all(FLERR,"Illegal region prism command");
if (xz != 0.0 && xlo == -BIG && xhi == BIG)
error->all("Illegal region prism command");
error->all(FLERR,"Illegal region prism command");
if (xz != 0.0 && zlo == -BIG && zhi == BIG)
error->all("Illegal region prism command");
error->all(FLERR,"Illegal region prism command");
if (yz != 0.0 && ylo == -BIG && yhi == BIG)
error->all("Illegal region prism command");
error->all(FLERR,"Illegal region prism command");
if (yz != 0.0 && zlo == -BIG && zhi == BIG)
error->all("Illegal region prism command");
error->all(FLERR,"Illegal region prism command");
// extent of prism