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Improve Error Control #3

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william-dawson opened this issue Jun 16, 2017 · 1 comment
Open

Improve Error Control #3

william-dawson opened this issue Jun 16, 2017 · 1 comment
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@william-dawson
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Overview

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

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