28 #ifndef _math_optimize_conv_h
29 #define _math_optimize_conv_h
31 #include <util/state/state.h>
32 #include <util/class/class.h>
33 #include <math/scmat/matrix.h>
34 #include <math/optimize/function.h>
68 void check_conv(
const char *heading,
69 double val,
double bound,
70 int &pass,
int &fail);
125 virtual void reset();
void print(std::ostream &=ExEnv::out0()) const
Print the object.
virtual int converged()
Return nonzero if the optimization has converged.
A template class that maintains references counts.
Definition: ref.h:361
virtual void reset()
Set the current gradient and displacement to null.
void save_data_state(StateOut &)
Save the base classes (with save_data_state) and the members in the same order that the StateIn CTOR ...
The RefSCVector class is a smart pointer to an SCVector specialization.
Definition: matrix.h:55
Definition: stateout.h:71
The Convergence class is used by the optimizer to determine when an optimization is converged.
Definition: conv.h:52
static std::ostream & out0()
Return an ostream that writes from node 0.
Base class for objects that can save/restore state.
Definition: state.h:45
virtual void get_grad(const Ref< Function > &)
Set the current gradient and displacement.
Contains all MPQC code up to version 3.
Definition: mpqcin.h:14
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