add rigid body overlap warnings to change_box and delete_atoms

This commit is contained in:
Axel Kohlmeyer
2017-06-13 16:26:49 -04:00
parent 4c69bbcf5c
commit 32b967ed9c
3 changed files with 19 additions and 7 deletions

View File

@ -316,6 +316,9 @@ void ChangeBox::command(int narg, char **arg)
} else if (ops[m].style == REMAP) {
if (modify->check_rigid_group_overlap(groupbit))
error->warning(FLERR,"Attempting to remap atoms in rigid bodies");
// convert atoms to lamda coords, using last box state
// convert atoms back to box coords, using current box state
// save current box state