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prim_t Struct Reference

A Gaussian primitive. More...

#include <QMData.h>

List of all members.

Public Attributes
float	expon
	gaussian exponent. More...
float	coeff
	contraction coefficient (not normalized). More...

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Detailed Description

A Gaussian primitive.

Definition at line 251 of file QMData.h.

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Member Data Documentation

float prim_t::coeff

contraction coefficient (not normalized). Definition at line 253 of file QMData.h. Referenced by compare_shells, copy_shell_basis, QMData::create_unique_basis, QMData::init_basis, molinfo_get, and QMData::normalize_basis.

float prim_t::expon

gaussian exponent. Definition at line 252 of file QMData.h. Referenced by compare_shells, copy_shell_basis, QMData::create_unique_basis, QMData::expand_basis_array, QMData::init_basis, molinfo_get, and QMData::normalize_basis.

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The documentation for this struct was generated from the following file:

• QMData.h

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