.TH "sc::HCoreWfn" 3 "Sun Oct 4 2020" "Version 2.3.1" "MPQC" \" -*- nroff -*-
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.SH NAME
sc::HCoreWfn
.SH SYNOPSIS
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.PP
.PP
Inherits \fBsc::OneBodyWavefunction\fP\&.
.SS "Public Member Functions"

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.RI "\fBHCoreWfn\fP (\fBStateIn\fP &)"
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.RI "\fBHCoreWfn\fP (const \fBRef\fP< \fBKeyVal\fP > &)"
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.RI "void \fBsave_data_state\fP (\fBStateOut\fP &)"
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.RI "Save the base classes (with save_data_state) and the members in the same order that the \fBStateIn\fP CTOR initializes them\&. "
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.RI "double \fBoccupation\fP (int irrep, int vectornum)"
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.RI "Returns the occupation\&. "
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.RI "\fBRefSCMatrix\fP \fBoso_eigenvectors\fP ()"
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.RI "Returns the orthogonal MO (columns) to orthogonal-SO (rows) transformation matrix\&. "
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.RI "\fBRefDiagSCMatrix\fP \fBeigenvalues\fP ()"
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.RI "Returns the MO basis eigenvalues\&. "
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.RI "\fBRefSymmSCMatrix\fP \fBdensity\fP ()"
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.RI "Returns the \fBSO\fP density\&. "
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.RI "int \fBspin_polarized\fP ()"
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.RI "Return 1 if the alpha density is not equal to the beta density\&. "
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.RI "int \fBspin_unrestricted\fP ()"
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.RI "Return 1 if the alpha orbitals are not equal to the beta orbitals\&. "
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.RI "int \fBvalue_implemented\fP () const"
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.RI "Information about the availability of values, gradients, and hessians\&. "
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.SS "Additional Inherited Members"
.SH "Member Function Documentation"
.PP 
.SS "double sc::HCoreWfn::occupation (int irrep, int vectornum)\fC [virtual]\fP"

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Returns the occupation\&. The irreducible representation and the vector number within that representation are given as arguments\&. 
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Implements \fBsc::OneBodyWavefunction\fP\&.
.SS "void sc::HCoreWfn::save_data_state (\fBStateOut\fP &)\fC [virtual]\fP"

.PP
Save the base classes (with save_data_state) and the members in the same order that the \fBStateIn\fP CTOR initializes them\&. This must be implemented by the derived class if the class has data\&. 
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Reimplemented from \fBsc::OneBodyWavefunction\fP\&.

.SH "Author"
.PP 
Generated automatically by Doxygen for MPQC from the source code\&.