It is hard to determine the initial guess of bond length for the search. Elements have different covalent atomic radius and thus the minimum and maximum bonding distances vary case to case.
If the program reports a range of valid bonding distances and the possible coordination numbers at the beginning when the user determines which element to be used, then a fast summary of the bonding possibilities is generated.
Expected outcome
The user could see:
Valid lower and upper limit for the formation of bondings between the new element and the existing element(s).
The relationship between the target bondlength and the possible coordination numbers in this case.
Motivation
It is hard to determine the initial guess of bond length for the search. Elements have different covalent atomic radius and thus the minimum and maximum bonding distances vary case to case. If the program reports a range of valid bonding distances and the possible coordination numbers at the beginning when the user determines which element to be used, then a fast summary of the bonding possibilities is generated.
Expected outcome
The user could see: