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add labelmap command

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This commit is contained in:
Jacob Gissinger
2021-01-15 21:46:40 -05:00
parent 93c33ac4f4
commit e138cf2476
5 changed files with 48 additions and 1 deletions
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10
src/input.cpp
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@ -29,6 +29,7 @@
#include "group.h"
#include "improper.h"
#include "kspace.h"
#include "label_map.h"
#include "memory.h"
#include "min.h"
#include "modify.h"
@ -738,6 +739,7 @@ int Input::execute_command()
else if (!strcmp(command,"improper_style")) improper_style();
else if (!strcmp(command,"kspace_modify")) kspace_modify();
else if (!strcmp(command,"kspace_style")) kspace_style();
else if (!strcmp(command,"labelmap")) labelmap();
else if (!strcmp(command,"lattice")) lattice();
else if (!strcmp(command,"mass")) mass();
else if (!strcmp(command,"min_modify")) min_modify();
@ -1552,6 +1554,14 @@ void Input::kspace_style()
force->create_kspace(arg[0],1);
if (force->kspace) force->kspace->settings(narg-1,&arg[1]);
}
/* ---------------------------------------------------------------------- */
void Input::labelmap()
{
if (domain->box_exist == 0)
error->all(FLERR,"Labelmap command before simulation box is defined");
atom->lmap->modify_lmap(narg,arg);
}
/* ---------------------------------------------------------------------- */