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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...


Detailed Description

A Gaussian primitive.

Definition at line 251 of file QMData.h.


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.


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