.TH "sc::SumMolecularEnergy" 3 "Sun Oct 4 2020" "Version 2.3.1" "MPQC" \" -*- nroff -*-
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.SH NAME
sc::SumMolecularEnergy
.SH SYNOPSIS
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.PP
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Inherits \fBsc::MolecularEnergy\fP\&.
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Inherited by \fBsc::MP2BasisExtrap\fP\&.
.SS "Public Member Functions"

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.RI "\fBSumMolecularEnergy\fP (const \fBRef\fP< \fBKeyVal\fP > &)"
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.RI "\fBSumMolecularEnergy\fP (\fBStateIn\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 "int \fBvalue_implemented\fP () const"
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.RI "Information about the availability of values, gradients, and hessians\&. "
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.RI "int \fBgradient_implemented\fP () const"
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.RI "int \fBhessian_implemented\fP () const"
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.RI "void \fBset_x\fP (const \fBRefSCVector\fP &)"
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.RI "Set and retrieve the coordinate values\&. "
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.SS "Protected Member Functions"

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.RI "void \fBcompute\fP ()"
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.RI "Recompute at least the results that have compute true and are not already computed\&. "
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.SS "Protected Attributes"

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.RI "int \fBn_\fP"
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.RI "\fBRef\fP< \fBMolecularEnergy\fP > * \fBmole_\fP"
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.RI "double * \fBcoef_\fP"
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.SS "Additional Inherited Members"
.SH "Member Function Documentation"
.PP 
.SS "void sc::SumMolecularEnergy::compute ()\fC [protected]\fP, \fC [virtual]\fP"

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Recompute at least the results that have compute true and are not already computed\&. This should only be called by \fBResult\fP's members\&. 
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Implements \fBsc::Compute\fP\&.
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Reimplemented in \fBsc::MP2BasisExtrap\fP\&.
.SS "void sc::SumMolecularEnergy::save_data_state (\fBStateOut\fP &)\fC [virtual]\fP"

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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::MolecularEnergy\fP\&.
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Reimplemented in \fBsc::MP2BasisExtrap\fP\&.

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