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Published 20 hours ago • verified publisher icon william-dawson

Improve Error Control

Open william-dawson opened this issue 7 years ago • 1 comments

Overview

NTPoly needs more sophisticated error controls. I think that this paper shows some possible way forward.

william-dawson avatar Jun 16 '17 01:06 william-dawson

One enhancement has been added to improve error control. Now, one can use the energy of the system as a measure of convergence when performing density matrix calculations.

william-dawson avatar Oct 27 '17 04:10 william-dawson