9#ifndef BALL_MOLMEC_MINIMIZATION_LINESEARCH_H
10#define BALL_MOLMEC_MINIMIZATION_LINESEARCH_H
18 class EnergyMinimizer;
75 void setAlpha(
double alpha);
80 void setBeta(
double beta);
85 double getAlpha() const;
90 double getBeta() const;
98 void setMaxSteps(
Size steps);
103 void setLowerBound(
double lbound);
107 double getLowerBound() const;
111 void setXTol(
double xtol);
115 double getXTol() const;
124 void setBracketedFlag(
bool bracktd);
130 bool isBracketed() const;
158 virtual
void takeStep(
double &st_a,
double &f_a,
double &g_a,
double &st_b,
double &f_b,
159 double &g_b,
double &stp,
double f,
double g,
double minstp,
double maxstp);
195 virtual
bool minimize(
double& stp,
bool keep_gradient = false);
214 double lower_energy_bound_;
#define BALL_CREATE(name)