| 
        
            | Methods |  |  
        | __init__ get_angle_gradient
 get_angle_gradient2
 get_length_gradient
 optimize_coords
 set_gradient
 step
 
 |  
            |  | __init__ |  
        | 
__init__ ( self )
 |  
            |  | get_angle_gradient |  
        | 
get_angle_gradient (
        self,
        opt_angle,
        refv,
        v1,
        v2,
        )
 |  
            |  | get_angle_gradient2 |  
        | 
get_angle_gradient2 (
        self,
        opt_angle,
        refv,
        v1,
        v2,
        )
 |  
            |  | get_length_gradient |  
        | 
get_length_gradient (
        self,
        v1,
        v2,
        opt_length=0,
        )
 |  
            |  | optimize_coords |  
        | 
optimize_coords (
        self,
        mol,
        bond_length=1,
        callback=None,
        )
callback may be used to obtain information about the running optimization,
    it is called after each step with three parameters - step number, RMS grad and maxgrad |  
            |  | set_gradient |  
        | 
set_gradient ( self,  vertex )
 |  
            |  | step |  
        | 
step ( self,  callback=None )
 |  |