Added function for creating an improper using single/improper

This commit is contained in:
TOFarmer
2019-10-08 10:46:27 +01:00
parent edda8a4d07
commit b8b07061d4
2 changed files with 119 additions and 2 deletions

View File

@ -39,6 +39,7 @@ class CreateBonds : protected Pointers {
void single_bond();
void single_angle();
void single_dihedral();
void single_improper();
};
}
@ -87,6 +88,10 @@ E: Invalid dihedral type in create_bonds command
UNDOCUMENTED
E: Invalid improper type in create_bonds command
UNDOCUMENTED
E: Create_bonds requires a pair style be defined
Self-explanatory.
@ -135,4 +140,12 @@ E: New dihedral exceeded dihedrals per atom in create_bonds
UNDOCUMENTED
E: Create_bonds single/improper atoms do not exist
UNDOCUMENTED
E: New improper exceeded impropers per atom in create_bonds
UNDOCUMENTED
*/