Pulay.h File Reference

Pulay mixing algorithm template. More...

#include <core/PulayParams.h>
#include <core/Util.h>
#include <electronic/matrix.h>
#include <cfloat>

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Classes
class	Pulay< Variable >
	Pulay mixing to optimize self-consistent field optimization . More...

Detailed Description

Pulay mixing algorithm template.