Table 1.

Comparison of memory and timing usage between finite difference SES definitions with and without trimer arc dots. The tested molecule is 1tsr, which has 3010 atoms. The timings were obtained from an average of three runs. The memory amounts were obtained from allocation requests in the code.

		With trimer arc dots	Without trimer arc dots
Memory (MB)		611	1123
Timing (s)	Arc dots calculations	0.76	0.63
	Grid point labeling	1.60	1.84
	Total	2.36	2.47