ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

new reset_ids command and dump_modify delay option

Browse Source
This commit is contained in:
Steven J. Plimpton
2018-03-28 11:31:35 -06:00
parent b5b0f67bcd
commit 5fd17670b1
14 changed files with 4011 additions and 6 deletions
Download Patch File Download Diff File Expand all files Collapse all files

7
src/delete_atoms.cpp
View File

@ -22,13 +22,13 @@
#include "force.h"
#include "group.h"
#include "region.h"
#include "modify.h"
#include "neighbor.h"
#include "neigh_list.h"
#include "neigh_request.h"
#include "random_mars.h"
#include "memory.h"
#include "error.h"
#include "modify.h"
#include <map>
@ -68,7 +68,8 @@ void DeleteAtoms::command(int narg, char **arg)
if (allflag) {
int igroup = group->find("all");
if ((igroup >= 0) && modify->check_rigid_group_overlap(group->bitmask[igroup]))
if ((igroup >= 0) &&
modify->check_rigid_group_overlap(group->bitmask[igroup]))
error->warning(FLERR,"Attempting to delete atoms in rigid bodies");
} else {
if (modify->check_rigid_list_overlap(dlist))
@ -105,7 +106,7 @@ void DeleteAtoms::command(int narg, char **arg)
memory->destroy(dlist);
}
// if non-molecular system and compress flag set,
// if non-molecular system and compress flag set:
// reset atom tags to be contiguous
// set all atom IDs to 0, call tag_extend()