FieldState for fields in symmetry-adapted basis format. More...
#include <BasisFieldState.h>
Public Member Functions | |
| BasisFieldState () | |
| Default constructor. More... | |
| BasisFieldState (System< D > &system) | |
| Constructor, create association with a parent system. More... | |
| ~BasisFieldState () | |
| Destructor. More... | |
| void | allocate () |
| Allocate all fields. More... | |
| void | read (const std::string &filename) |
| Read state from file. More... | |
| void | write (const std::string &filename) |
| Write state to file. More... | |
| void | getSystemState () |
| Copy the current state of the associated system. More... | |
| void | setSystemState (bool isFlexible) |
| Set the state of the associated system to this state. More... | |
 Public Member Functions inherited from Pscf::Pspc::FieldState< D, DArray< double > > | |
| FieldState () | |
| Default constructor. More... | |
| FieldState (System< D > &system) | |
| Constructor, creates association with a System. More... | |
| ~FieldState () | |
| Destructor. More... | |
| void | setSystem (System< D > &system) |
| Set association with System, after default construction. More... | |
| const DArray< DArray< double > > & | fields () const |
| Get array of all fields by const reference. More... | |
| DArray< DArray< double > > & | fields () |
| Get array of all chemical potential fields (non-const reference). More... | |
| const DArray< double > & | field (int monomerId) const |
| Get a field for a single monomer type by const reference. More... | |
| DArray< double > & | field (int monomerId) |
| Get field for a specific monomer type (non-const reference). More... | |
| const UnitCell< D > & | unitCell () const |
| Get UnitCell (i.e., lattice type and parameters) by const reference. More... | |
| UnitCell< D > & | unitCell () |
| Get the UnitCell by non-const reference. More... | |
Additional Inherited Members | |
| Protected Member Functions inherited from Pscf::Pspc::FieldState< D, DArray< double > > | |
| bool | hasSystem () |
| Has a system been set? More... | |
| System< D > & | system () |
| Get associated System by reference. More... | |
Detailed Description
class Pscf::Pspc::BasisFieldState< D >
FieldState for fields in symmetry-adapted basis format.
Definition at line 24 of file pspc/sweep/BasisFieldState.h.
Constructor & Destructor Documentation
◆ BasisFieldState() [1/2]
| Pscf::Pspc::BasisFieldState< D >::BasisFieldState |
Default constructor.
Definition at line 25 of file pspc/sweep/BasisFieldState.tpp.
◆ BasisFieldState() [2/2]
| Pscf::Pspc::BasisFieldState< D >::BasisFieldState | ( | System< D > & | system | ) |
Constructor, create association with a parent system.
- Parameters
-
system associated parent system
Definition at line 33 of file pspc/sweep/BasisFieldState.tpp.
◆ ~BasisFieldState()
| Pscf::Pspc::BasisFieldState< D >::~BasisFieldState |
Destructor.
Definition at line 41 of file pspc/sweep/BasisFieldState.tpp.
Member Function Documentation
◆ allocate()
| void Pscf::Pspc::BasisFieldState< D >::allocate |
Allocate all fields.
Precondition: hasSystem() == true
Definition at line 48 of file pspc/sweep/BasisFieldState.tpp.
References UTIL_CHECK.
Referenced by Pscf::Pspc::Sweep< D >::checkAllocation().
◆ read()
| void Pscf::Pspc::BasisFieldState< D >::read | ( | const std::string & | filename | ) |
Read state from file.
- Parameters
-
filename name of input w-field file in symmetry-adapted format.
Definition at line 77 of file pspc/sweep/BasisFieldState.tpp.
Referenced by pscfpp.param.Composite::__init__(), pscfpp.field.Field::__init__(), pscfpp.command.Script::__init__(), pscfpp.output.Thermo::__init__(), pscfpp.param.Matrix::__init__(), and pscfpp.param.Array::__init__().
◆ write()
| void Pscf::Pspc::BasisFieldState< D >::write | ( | const std::string & | filename | ) |
Write state to file.
Write fields in symmetry-adapted basis format.
- Parameters
-
filename name of output file, in symmetry-adapated format.
Definition at line 87 of file pspc/sweep/BasisFieldState.tpp.
◆ getSystemState()
| void Pscf::Pspc::BasisFieldState< D >::getSystemState |
Copy the current state of the associated system.
Copy the fields and the unit cell.
Definition at line 96 of file pspc/sweep/BasisFieldState.tpp.
◆ setSystemState()
| void Pscf::Pspc::BasisFieldState< D >::setSystemState | ( | bool | isFlexible | ) |
Set the state of the associated system to this state.
- Parameters
-
isFlexible update system unit cell iff isFlexible == true.
Definition at line 119 of file pspc/sweep/BasisFieldState.tpp.
The documentation for this class was generated from the following files:
