psi::KineticInt Class Reference
[libmints: Integral library]

Computes kinetic integrals. More...

#include <kinetic.h>

Inheritance diagram for psi::KineticInt:

List of all members.

Public Member Functions
	KineticInt (std::vector< SphericalTransform > &, shared_ptr< BasisSet >, shared_ptr< BasisSet >, int deriv=0)
	Constructor. Do not call directly, use an IntegralFactory.
virtual	~KineticInt ()
	Virtual destructor.
void	compute_shell (int, int)
	Compute kinetic integral between two shells, result stored in buffer_.
void	compute_shell_deriv1 (int, int)
	Compute kinetic derivative between two shells, result stored in buffer_.
bool	has_deriv1 ()
	Does the method provide first derivatives?

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Detailed Description

Computes kinetic integrals.

Use an IntegralFactory to create this object.

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The documentation for this class was generated from the following files:

• kinetic.h
• lib/libmints/kinetic.cc