11#include <util/param/ParamComposite.h>
12#include <util/containers/FSArray.h>
18 template <
int D>
class System;
56 virtual int solve(
bool isContinuation) = 0;
106 virtual double stress(
int paramId)
const;
145 template<
int D>
inline
150 template<
int D>
inline
Base class for iterative solvers for SCF equations.
System< D > & system()
Return reference to parent system.
void setFlexibleParams(FSArray< bool, 6 > const &flexParams)
Set the array indicating which lattice parameters are flexible.
Iterator()
Default constructor.
virtual int solve(bool isContinuation)=0
Iterate to solution.
virtual void clearTimers()=0
Clear timers.
bool isFlexible() const
Is the unit cell flexible (true) or rigid (false).
int nFlexibleParams() const
Get the number of flexible lattice parameters.
bool isSymmetric() const
Does this iterator use a symmetry-adapted Fourier basis?
bool isFlexible_
Is the unit cell flexible during iteration?
virtual double stress(int paramId) const
Return the stress used by this Iterator, for one lattice parameter.
FSArray< bool, 6 > flexibleParams() const
Get the array indicating which lattice parameters are flexible.
FSArray< bool, 6 > flexibleParams_
Array of indices of the lattice parameters that are flexible.
bool isSymmetric_
Does this iterator use a symmetry-adapted basis?
virtual void outputTimers(std::ostream &out) const =0
Log output timing results.
Main class, representing a complete physical system.
A fixed capacity (static) contiguous array with a variable logical size.
ParamComposite()
Constructor.
SCFT and PS-FTS with real periodic fields (GPU)
PSCF package top-level namespace.