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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7383 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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This commit is contained in:
sjplimp
2011-12-22 15:15:29 +00:00
parent 9921d20788
commit 80101f0754
7 changed files with 67 additions and 45 deletions
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26
src/dump_custom.cpp
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@ -120,8 +120,8 @@ DumpCustom::DumpCustom(LAMMPS *lmp, int narg, char **arg) :
format_default[0] = '\0';
for (int i = 0; i < size_one; i++) {
if (vtype[i] == INT) format_default = strcat(format_default,"%d ");
else if (vtype[i] == DOUBLE) format_default = strcat(format_default,"%g ");
if (vtype[i] == INT) strcat(format_default,"%d ");
else if (vtype[i] == DOUBLE) strcat(format_default,"%g ");
else if (vtype[i] == STRING) strcat(format_default,"%s ");
vformat[i] = NULL;
}
@ -1306,14 +1306,16 @@ int DumpCustom::modify_param(int narg, char **arg)
if (strcmp(arg[1],"none") == 0) iregion = -1;
else {
iregion = domain->find_region(arg[1]);
if (iregion == -1) error->all(FLERR,"Dump_modify region ID does not exist");
if (iregion == -1)
error->all(FLERR,"Dump_modify region ID does not exist");
int n = strlen(arg[1]) + 1;
idregion = new char[n];
strcpy(idregion,arg[1]);
}
return 2;
} else if (strcmp(arg[0],"element") == 0) {
}
if (strcmp(arg[0],"element") == 0) {
if (narg < ntypes+1)
error->all(FLERR,"Dump modify element names do not match atom types");
@ -1330,8 +1332,9 @@ int DumpCustom::modify_param(int narg, char **arg)
strcpy(typenames[itype],arg[itype]);
}
return ntypes+1;
}
} else if (strcmp(arg[0],"thresh") == 0) {
if (strcmp(arg[0],"thresh") == 0) {
if (narg < 2) error->all(FLERR,"Illegal dump_modify command");
if (strcmp(arg[1],"none") == 0) {
if (nthresh) {
@ -1345,7 +1348,7 @@ int DumpCustom::modify_param(int narg, char **arg)
nthresh = 0;
return 2;
}
if (narg < 4) error->all(FLERR,"Illegal dump_modify command");
// grow threshhold arrays
@ -1462,13 +1465,16 @@ int DumpCustom::modify_param(int narg, char **arg)
if (n < 0) error->all(FLERR,"Could not find dump modify compute ID");
if (modify->compute[n]->peratom_flag == 0)
error->all(FLERR,"Dump modify compute ID does not compute per-atom info");
error->all(FLERR,
"Dump modify compute ID does not compute per-atom info");
if (argindex[nfield+nthresh] == 0 &&
modify->compute[n]->size_peratom_cols > 0)
error->all(FLERR,"Dump modify compute ID does not compute per-atom vector");
error->all(FLERR,
"Dump modify compute ID does not compute per-atom vector");
if (argindex[nfield+nthresh] > 0 &&
modify->compute[n]->size_peratom_cols == 0)
error->all(FLERR,"Dump modify compute ID does not compute per-atom array");
error->all(FLERR,
"Dump modify compute ID does not compute per-atom array");
if (argindex[nfield+nthresh] > 0 &&
argindex[nfield+nthresh] > modify->compute[n]->size_peratom_cols)
error->all(FLERR,"Dump modify compute ID vector is not large enough");