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

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.RI "\fBBEMSolvent\fP (const \fBRef\fP< \fBKeyVal\fP > &)"
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.RI "void \fBinit\fP ()"
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.RI "void \fBdone\fP (int clear_surface=1)"
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.RI "int \fBncharge\fP ()"
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.RI "\fBRef\fP< \fBMolecule\fP > \fBsolvent\fP ()"
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.RI "double \fBsolvent_density\fP ()"
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.RI "double ** \fBalloc_charge_positions\fP ()"
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.RI "void \fBfree_charge_positions\fP (double **a)"
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.RI "double ** \fBalloc_normals\fP ()"
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.RI "void \fBfree_normals\fP (double **a)"
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.RI "double * \fBalloc_efield_dot_normals\fP ()"
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.RI "void \fBfree_efield_dot_normals\fP (double *a)"
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.RI "double * \fBalloc_charges\fP ()"
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.RI "void \fBfree_charges\fP (double *a)"
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.RI "void \fBcharge_positions\fP (double **)"
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.RI "void \fBnormals\fP (double **)"
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.RI "void \fBcompute_charges\fP (double *efield_dot_normals, double *charge)"
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.RI "void \fBnormalize_charge\fP (double enclosed_charge, double *charges)"
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.RI "double \fBnuclear_charge_interaction_energy\fP (double *nuclear_charge, double **charge_positions, double *charge)"
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.RI "double \fBnuclear_interaction_energy\fP (double **charge_positions, double *charge)"
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.RI "double \fBself_interaction_energy\fP (double **charge_positions, double *charge)"
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.RI "double \fBpolarization_charge\fP (double *charge)"
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.RI "double \fBarea\fP () const"
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.RI "double \fBvolume\fP () const"
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.RI "double \fBcomputed_enclosed_charge\fP () const"
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.RI "double \fBdisp\fP ()"
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.RI "double \fBrep\fP ()"
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.RI "double \fBdisprep\fP ()"
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.RI "void \fBinit_system_matrix\fP ()"
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.RI "\fBRef\fP< \fBTriangulatedImplicitSurface\fP > \fBsurface\fP () const"
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.RI "\fBRef\fP< \fBSCMatrixKit\fP > \fBmatrixkit\fP ()"
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.SS "Additional Inherited Members"


.SH "Author"
.PP 
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