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\@writefile{toc}{\contentsline {subsubsection}{\numberline {4.30.2.1}\setlength  {\rightskip }{0pt plus 5cm}gw\discretionary {-}{}{}Numerics::gw\discretionary {-}{}{}Numerics ()}{262}}
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\@writefile{toc}{\contentsline {subsubsection}{\numberline {4.30.3.1}\setlength  {\rightskip }{0pt plus 5cm}{\bf  j\discretionary {-}{}{}Vector} gw\discretionary {-}{}{}Numerics::Calc\discretionary {-}{}{}Force (int {\em  I}, double {\em  radius}, {\bf  DLList}$<$ int $>$ {\em  Viol\discretionary {-}{}{}List}, {\bf  DLList}$<$ int $>$ {\em  Neighbor\discretionary {-}{}{}List}, {\bf  DLList}$<$ int $>$ {\em  Moved}, const {\bf  Constraint\discretionary {-}{}{}Manager} \& {\em  CM}, const {\bf  j\discretionary {-}{}{}Vector} \& {\em  start\_\discretionary {-}{}{}position}, double {\em  min\_\discretionary {-}{}{}dist}, const {\bf  j\discretionary {-}{}{}Vector} {\em  pref\_\discretionary {-}{}{}dir})\hspace  {0.3cm}{\tt  [static]}}{263}}
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\@writefile{toc}{\contentsline {subsubsection}{\numberline {4.30.3.2}\setlength  {\rightskip }{0pt plus 5cm}double gw\discretionary {-}{}{}Numerics::Calculate\discretionary {-}{}{}Derivative (const {\bf  j\discretionary {-}{}{}Vector} \& {\em  direction}, const$\delimiter "026E30F ${\bf  j\discretionary {-}{}{}Vector} \& {\em  gradient})\hspace  {0.3cm}{\tt  [static]}}{263}}
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\@writefile{toc}{\contentsline {subsubsection}{\numberline {4.30.3.4}\setlength  {\rightskip }{0pt plus 5cm}bool gw\discretionary {-}{}{}Numerics::Cubic\discretionary {-}{}{}Line\discretionary {-}{}{}Search (const {\bf  j\discretionary {-}{}{}Vector} \& {\em  position}, const {\bf  j\discretionary {-}{}{}Vector} \&$\delimiter "026E30F $ {\em  direction}, const double \& {\em  derivative}, const$\delimiter "026E30F ${\bf  Constraint\discretionary {-}{}{}Manager} \& {\em  CM}, int {\em  atom\_\discretionary {-}{}{}index}, $\delimiter "026E30F ${\bf  j\discretionary {-}{}{}Vector} \& {\em  New\discretionary {-}{}{}Position}, double \& {\em  qmin})\hspace  {0.3cm}{\tt  [static]}}{263}}
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\@writefile{toc}{\contentsline {subsubsection}{\numberline {4.30.3.5}\setlength  {\rightskip }{0pt plus 5cm}{\bf  Segment} gw\discretionary {-}{}{}Numerics::Line\discretionary {-}{}{}Intersect\discretionary {-}{}{}Sphere (const {\bf  j\discretionary {-}{}{}Vector} \& {\em  atom\_\discretionary {-}{}{}position}, const double \&$\delimiter "026E30F $ {\em  radius}, const {\bf  j\discretionary {-}{}{}Vector} \& {\em  vec\_\discretionary {-}{}{}position}, const$\delimiter "026E30F ${\bf  j\discretionary {-}{}{}Vector} \& {\em  atom\_\discretionary {-}{}{}direction})\hspace  {0.3cm}{\tt  [static]}}{263}}
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\@writefile{toc}{\contentsline {subsubsection}{\numberline {4.30.3.6}\setlength  {\rightskip }{0pt plus 5cm}double gw\discretionary {-}{}{}Numerics::Linear\discretionary {-}{}{}Threshold (const double \& {\em  X}, double $\ast $ {\em  Array})\hspace  {0.3cm}{\tt  [static]}}{263}}
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\@writefile{toc}{\contentsline {subsubsection}{\numberline {4.30.3.7}\setlength  {\rightskip }{0pt plus 5cm}void gw\discretionary {-}{}{}Numerics::Local\discretionary {-}{}{}Pert (int {\em  I}, {\bf  Constraint\discretionary {-}{}{}Manager} \& {\em  CM}, double {\em  min\_\discretionary {-}{}{}dist}, {\bf  j\discretionary {-}{}{}Vector} {\em  start\_\discretionary {-}{}{}position})\hspace  {0.3cm}{\tt  [static]}}{264}}
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\@writefile{toc}{\contentsline {subsubsection}{\numberline {4.30.3.8}\setlength  {\rightskip }{0pt plus 5cm}int gw\discretionary {-}{}{}Numerics::Move\discretionary {-}{}{}On\discretionary {-}{}{}Single\discretionary {-}{}{}Viol (int {\em  I}, double {\em  radius}, int {\em  other\discretionary {-}{}{}Atom}, {\bf  Constraint\discretionary {-}{}{}Manager} \& {\em  CM})\hspace  {0.3cm}{\tt  [static]}}{264}}
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\@writefile{toc}{\contentsline {subsubsection}{\numberline {4.30.3.9}\setlength  {\rightskip }{0pt plus 5cm}{\bf  j\discretionary {-}{}{}Vector} gw\discretionary {-}{}{}Numerics::Set\discretionary {-}{}{}HCPosition2 (const {\bf  j\discretionary {-}{}{}Vector} \& {\em  start\_\discretionary {-}{}{}position}, const {\bf  j\discretionary {-}{}{}Vector} \& {\em  curr\_\discretionary {-}{}{}position}, $\delimiter "026E30F $const {\bf  j\discretionary {-}{}{}Vector} \& {\em  direction}, {\bf  Constraint\discretionary {-}{}{}Manager} \&$\delimiter "026E30F $ {\em  CM}, int {\em  atom\_\discretionary {-}{}{}index}, double {\em  qmin\_\discretionary {-}{}{}dist}, double \& {\em  max\_\discretionary {-}{}{}lpert\_\discretionary {-}{}{}r})\hspace  {0.3cm}{\tt  [static]}}{264}}
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\@writefile{toc}{\contentsline {subsubsection}{\numberline {4.30.3.10}\setlength  {\rightskip }{0pt plus 5cm}void gw\discretionary {-}{}{}Numerics::Solve\discretionary {-}{}{}Vector (const {\bf  j\discretionary {-}{}{}Vector} \& {\em  gradient}, const {\bf  j\discretionary {-}{}{}Vector} \&$\delimiter "026E30F $ {\em  hessian}, {\bf  j\discretionary {-}{}{}Vector} \& {\em  result})\hspace  {0.3cm}{\tt  [static]}}{266}}
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\@writefile{toc}{\contentsline {subsubsection}{\numberline {4.30.3.11}\setlength  {\rightskip }{0pt plus 5cm}int gw\discretionary {-}{}{}Numerics::Spread\discretionary {-}{}{}R (int {\em  I}, double {\em  radius}, {\bf  DLList}$<$ int $>$ {\em  Moved}, int {\em  depth}, {\bf  Constraint\discretionary {-}{}{}Manager} \& {\em  CM}, {\bf  j\discretionary {-}{}{}Vector} {\em  start\_\discretionary {-}{}{}position}, const {\bf  j\discretionary {-}{}{}Vector} {\em  pref\_\discretionary {-}{}{}dir})\hspace  {0.3cm}{\tt  [static]}}{266}}
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\@writefile{toc}{\contentsline {subsubsection}{\numberline {4.30.3.12}\setlength  {\rightskip }{0pt plus 5cm}void gw\discretionary {-}{}{}Numerics::add\discretionary {-}{}{}LPERTSegments ({\bf  Segments} \& {\em  Seg\discretionary {-}{}{}List}, const {\bf  j\discretionary {-}{}{}Vector} \& {\em  curr\_\discretionary {-}{}{}position}, $\delimiter "026E30F $const {\bf  j\discretionary {-}{}{}Vector} \& {\em  direction}, {\bf  Constraint\discretionary {-}{}{}Manager} \&$\delimiter "026E30F $ {\em  CM}, int {\em  atom\_\discretionary {-}{}{}index}, double {\em  qmin\_\discretionary {-}{}{}dist}, $\delimiter "026E30F $const {\bf  j\discretionary {-}{}{}Vector} \& {\em  start\_\discretionary {-}{}{}position}, const {\bf  j\discretionary {-}{}{}Vector} \& {\em  new\_\discretionary {-}{}{}position}, double \& {\em  max\_\discretionary {-}{}{}r})\hspace  {0.3cm}{\tt  [static]}}{266}}
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\@writefile{toc}{\contentsline {subsubsection}{\numberline {4.30.3.13}\setlength  {\rightskip }{0pt plus 5cm}void gw\discretionary {-}{}{}Numerics::add\discretionary {-}{}{}VDWSegments ({\bf  Segments} \& {\em  Seg\discretionary {-}{}{}List}, const {\bf  j\discretionary {-}{}{}Vector} \& {\em  curr\_\discretionary {-}{}{}position}, $\delimiter "026E30F $const {\bf  j\discretionary {-}{}{}Vector} \& {\em  direction}, {\bf  Constraint\discretionary {-}{}{}Manager} \&$\delimiter "026E30F $ {\em  CM}, int {\em  atom\_\discretionary {-}{}{}index}, double {\em  offset} = 0)\hspace  {0.3cm}{\tt  [static]}}{267}}
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\@writefile{toc}{\contentsline {subsubsection}{\numberline {4.30.3.14}\setlength  {\rightskip }{0pt plus 5cm}void gw\discretionary {-}{}{}Numerics::bfgs\_\discretionary {-}{}{}step (const {\bf  j\discretionary {-}{}{}Vector} \& {\em  x}, const {\bf  j\discretionary {-}{}{}Vector} \& {\em  xp}, const {\bf  j\discretionary {-}{}{}Vector} \& {\em  gf}, const {\bf  j\discretionary {-}{}{}Vector} \& {\em  gfp}, {\bf  j\discretionary {-}{}{}Vector} \& {\em  H}, {\bf  j\discretionary {-}{}{}Vector} \& {\em  direction})\hspace  {0.3cm}{\tt  [static]}}{269}}
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\@writefile{toc}{\contentsline {subsubsection}{\numberline {4.30.3.15}\setlength  {\rightskip }{0pt plus 5cm}void gw\discretionary {-}{}{}Numerics::reset\_\discretionary {-}{}{}LP\_\discretionary {-}{}{}Count (void)\hspace  {0.3cm}{\tt  [inline, static]}}{270}}
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\@writefile{toc}{\contentsline {subsubsection}{\numberline {4.30.4.1}\setlength  {\rightskip }{0pt plus 5cm}double gw\discretionary {-}{}{}Numerics::Ave\discretionary {-}{}{}Abs\discretionary {-}{}{}Dist\discretionary {-}{}{}Res = 0\hspace  {0.3cm}{\tt  [static]}}{270}}
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\@writefile{toc}{\contentsline {subsubsection}{\numberline {4.30.4.4}\setlength  {\rightskip }{0pt plus 5cm}double gw\discretionary {-}{}{}Numerics::Max\discretionary {-}{}{}Abs\discretionary {-}{}{}Dist\discretionary {-}{}{}Res = -1 $\ast $ INF\hspace  {0.3cm}{\tt  [static]}}{270}}
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