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

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5291 f3b2605a-c512-4ea7-a41b-209d697bcdaa

Browse Source
This commit is contained in:
sjplimp
2010-11-23 21:22:28 +00:00
parent 32f7b39793
commit 04de31551c
2 changed files with 4 additions and 4 deletions
Download Patch File Download Diff File Expand all files Collapse all files

4
src/fix_rigid.cpp
View File

@ -93,8 +93,8 @@ FixRigid::FixRigid(LAMMPS *lmp, int narg, char **arg) :
} else if (strcmp(arg[3],"molecule") == 0) {
iarg = 4;
if (atom->molecular == 0)
error->all("Must use a molecular atom style with fix rigid molecule");
if (atom->molecule_flag == 0)
error->all("Fix rigid molecule requires atom attribute molecule");
int *mask = atom->mask;
int *molecule = atom->molecule;

4
src/neighbor.cpp
View File

@ -1417,9 +1417,9 @@ void Neighbor::modify_params(int narg, char **arg)
} else if (strcmp(arg[iarg+1],"molecule") == 0) {
if (iarg+3 > narg) error->all("Illegal neigh_modify command");
if (atom->molecular == 0) {
if (atom->molecule_flag == 0) {
char *str = (char *)
"Must use molecular atom style with neigh_modify exclude molecule";
"Neigh_modify exclude molecule requires atom attribute molecule";
error->all(str);
}
if (nex_mol == maxex_mol) {