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;
109 virtual double stress(
int paramId)
const;
150 template <
int D>
inline
160 template <
int D>
inline
Base class for iterative solvers for SCF equations.
virtual void outputTimers(std::ostream &out) const =0
Log output timing results.
bool isSymmetric_
Does this iterator use a symmetry-adapted basis?
void setFlexibleParams(FSArray< bool, 6 > const &flexParams)
Set the array indicating which lattice parameters are flexible.
virtual int solve(bool isContinuation)=0
Iterate to solution.
Iterator()
Default constructor.
int nFlexibleParams() const
Get the number of flexible lattice parameters.
System< D > const & system() const
Get parent system by const reference.
bool isFlexible_
Are any lattice parameters flexible during iteration?
virtual double stress(int paramId) const
Return the stress used by this Iterator, for one lattice parameter.
bool isSymmetric() const
Does this iterator use a symmetry-adapted Fourier basis?
bool isFlexible() const
Return true iff unit cell has any flexible lattice parameters.
FSArray< bool, 6 > flexibleParams_
Array of indices of the lattice parameters that are flexible.
virtual void clearTimers()=0
Clear timers.
FSArray< bool, 6 > flexibleParams() const
Get the array indicating which lattice parameters are flexible.
Main class, representing a complete physical system.
A fixed capacity (static) contiguous array with a variable logical size.
ParamComposite()
Constructor.
File containing preprocessor macros for error handling.
#define UTIL_CHECK(condition)
Assertion macro suitable for serial or parallel production code.
Real periodic fields, SCFT and PS-FTS (CPU).
PSCF package top-level namespace.