add single options to create_bonds command

This commit is contained in:
Steve Plimpton
2017-06-30 11:30:43 -06:00
parent 3bf2c60276
commit 711afe5062
3 changed files with 418 additions and 69 deletions

View File

@ -30,9 +30,15 @@ class CreateBonds : protected Pointers {
void command(int, char **);
private:
inline int sbmask(int j) const {
return j >> SBBITS & 3;
}
int igroup,group1bit,group2bit;
int btype,atype,dtype;
tagint batom1,batom2,aatom1,aatom2,aatom3,datom1,datom2,datom3,datom4;
double rmin,rmax;
void many();
void single_bond();
void single_angle();
void single_dihedral();
};
}