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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7303 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2011-12-08 00:32:34 +00:00
parent 65c85ffb99
commit 9224da83ab
16 changed files with 717 additions and 43 deletions
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51
src/input.cpp
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@ -418,6 +418,7 @@ int Input::execute_command()
else if (!strcmp(command,"label")) label();
else if (!strcmp(command,"log")) log();
else if (!strcmp(command,"next")) next_command();
else if (!strcmp(command,"partition")) partition();
else if (!strcmp(command,"print")) print();
else if (!strcmp(command,"shell")) shell();
else if (!strcmp(command,"variable")) variable_command();
@ -580,7 +581,7 @@ void Input::ifthenelse()
ncommands++;
}
for (int i = 0; i < ncommands; i++) input->one(commands[i]);
for (int i = 0; i < ncommands; i++) one(commands[i]);
for (int i = 0; i < ncommands; i++) delete [] commands[i];
delete [] commands;
@ -636,7 +637,7 @@ void Input::ifthenelse()
// execute the list of commands
for (int i = 0; i < ncommands; i++) input->one(commands[i]);
for (int i = 0; i < ncommands; i++) one(commands[i]);
// clean up
@ -742,6 +743,40 @@ void Input::next_command()
/* ---------------------------------------------------------------------- */
void Input::partition()
{
if (narg < 3) error->all(FLERR,"Illegal partition command");
int yesflag;
if (strcmp(arg[0],"yes") == 0) yesflag = 1;
else if (strcmp(arg[0],"no") == 0) yesflag = 0;
else error->all(FLERR,"Illegal partition command");
int ilo,ihi;
force->bounds(arg[1],universe->nworlds,ilo,ihi);
// copy original line to copy, since will use strtok() on it
// ptr = start of 4th word
strcpy(copy,line);
copy[strlen(copy)-1] = '\0';
char *ptr = strtok(copy," \t\n\r\f");
ptr = strtok(NULL," \t\n\r\f");
ptr = strtok(NULL," \t\n\r\f");
ptr += strlen(ptr) + 1;
ptr += strspn(ptr," \t\n\r\f");
// execute the remaining command line on requested partitions
if (yesflag) {
if (universe->iworld+1 >= ilo && universe->iworld+1 <= ihi) one(ptr);
} else {
if (universe->iworld+1 < ilo || universe->iworld+1 > ihi) one(ptr);
}
}
/* ---------------------------------------------------------------------- */
void Input::print()
{
if (narg != 1) error->all(FLERR,"Illegal print command");
@ -1204,19 +1239,9 @@ void Input::pair_write()
void Input::processors()
{
if (narg != 3) error->all(FLERR,"Illegal processors command");
if (domain->box_exist)
error->all(FLERR,"Processors command after simulation box is defined");
if (strcmp(arg[0],"*") == 0) comm->user_procgrid[0] = 0;
else comm->user_procgrid[0] = atoi(arg[0]);
if (strcmp(arg[1],"*") == 0) comm->user_procgrid[1] = 0;
else comm->user_procgrid[1] = atoi(arg[1]);
if (strcmp(arg[2],"*") == 0) comm->user_procgrid[2] = 0;
else comm->user_procgrid[2] = atoi(arg[2]);
if (comm->user_procgrid[0] < 0 || comm->user_procgrid[1] < 0 ||
comm->user_procgrid[2] < 0) error->all(FLERR,"Illegal processors command");
comm->set_processors(narg,arg);
}
/* ---------------------------------------------------------------------- */