CheMPS2

#include <SyBookkeeper.h>
Public Member Functions  
SyBookkeeper (const Problem *Prob, const int D)  
Constructor. More...  
SyBookkeeper (const SyBookkeeper &tocopy)  
Copy constructor. More...  
virtual  ~SyBookkeeper () 
Destructor.  
const Problem *  gProb () const 
Get the problem. More...  
int  gL () const 
Get the number of orbitals. More...  
int  gIrrep (const int orbital) const 
Get an orbital irrep. More...  
int  gTwoS () const 
Get twice the targeted spin. More...  
int  gN () const 
Get the targeted particle number. More...  
int  gIrrep () const 
Get the targeted irrep. More...  
int  getNumberOfIrreps () const 
Get the total number of irreps. More...  
int  gNmin (const int boundary) const 
Get the min. possible particle number for a certain boundary. More...  
int  gNmax (const int boundary) const 
Get the max. possible particle number for a certain boundary. More...  
int  gTwoSmin (const int boundary, const int N) const 
Get the minimum possible spin value for a certain boundary and particle number. More...  
int  gTwoSmax (const int boundary, const int N) const 
Get the maximum possible spin value for a certain boundary and particle number. More...  
int  gFCIdim (const int boundary, const int N, const int TwoS, const int irrep) const 
Get the FCI virtual dimensions ( bound by SYBK_dimensionCutoff ) More...  
int  gCurrentDim (const int boundary, const int N, const int TwoS, const int irrep) const 
Get the current virtual dimensions. More...  
bool  IsPossible () const 
Get whether the desired symmetry sector is possible. More...  
void  SetDim (const int boundary, const int N, const int TwoS, const int irrep, const int value) 
Get the current virtual dimensions. More...  
int  gMaxDimAtBound (const int boundary) const 
Get the maximum virtual dimension at a certain boundary. More...  
int  gTotDimAtBound (const int boundary) const 
Get the total reduced virtual dimension at a certain boundary. More...  
void  restart (const int start, const int stop, const int virtual_dim) 
Restart by setting the virtual dimensions from boundary start to boundary stop to FCI virtual dimensions based on the environment. More...  
SyBookkeeper class.
The SyBookkeeper class keeps track of all the symmetry at the boundaries. This includes:
Definition at line 34 of file SyBookkeeper.h.
CheMPS2::SyBookkeeper::SyBookkeeper  (  const Problem *  Prob, 
const int  D  
) 
Constructor.
Prob  The problem to be solved 
D  The initial number of reduced renormalized DMRG basis states 
Definition at line 29 of file SyBookkeeper.cpp.
CheMPS2::SyBookkeeper::SyBookkeeper  (  const SyBookkeeper &  tocopy  ) 
Copy constructor.
tocopy  The SyBookkeeper to be copied 
Definition at line 51 of file SyBookkeeper.cpp.
int CheMPS2::SyBookkeeper::gCurrentDim  (  const int  boundary, 
const int  N,  
const int  TwoS,  
const int  irrep  
)  const 
Get the current virtual dimensions.
boundary  The boundary index 
N  The particle number 
TwoS  Twice the spin sector 
irrep  The irrep 
Definition at line 165 of file SyBookkeeper.cpp.
int CheMPS2::SyBookkeeper::getNumberOfIrreps  (  )  const 
Get the total number of irreps.
Definition at line 153 of file SyBookkeeper.cpp.
int CheMPS2::SyBookkeeper::gFCIdim  (  const int  boundary, 
const int  N,  
const int  TwoS,  
const int  irrep  
)  const 
Get the FCI virtual dimensions ( bound by SYBK_dimensionCutoff )
boundary  The boundary index 
N  The particle number 
TwoS  Twice the spin sector 
irrep  The irrep 
Definition at line 163 of file SyBookkeeper.cpp.
int CheMPS2::SyBookkeeper::gIrrep  (  const int  orbital  )  const 
Get an orbital irrep.
Definition at line 145 of file SyBookkeeper.cpp.
int CheMPS2::SyBookkeeper::gIrrep  (  )  const 
Get the targeted irrep.
Definition at line 151 of file SyBookkeeper.cpp.
int CheMPS2::SyBookkeeper::gL  (  )  const 
Get the number of orbitals.
Definition at line 143 of file SyBookkeeper.cpp.
int CheMPS2::SyBookkeeper::gMaxDimAtBound  (  const int  boundary  )  const 
Get the maximum virtual dimension at a certain boundary.
boundary  The boundary index 
Definition at line 282 of file SyBookkeeper.cpp.
int CheMPS2::SyBookkeeper::gN  (  )  const 
Get the targeted particle number.
Definition at line 149 of file SyBookkeeper.cpp.
int CheMPS2::SyBookkeeper::gNmax  (  const int  boundary  )  const 
Get the max. possible particle number for a certain boundary.
boundary  The boundary index 
Definition at line 157 of file SyBookkeeper.cpp.
int CheMPS2::SyBookkeeper::gNmin  (  const int  boundary  )  const 
Get the min. possible particle number for a certain boundary.
boundary  The boundary index ( from 0 to L ( included ) ) 
Definition at line 155 of file SyBookkeeper.cpp.
const CheMPS2::Problem * CheMPS2::SyBookkeeper::gProb  (  )  const 
Get the problem.
Definition at line 141 of file SyBookkeeper.cpp.
int CheMPS2::SyBookkeeper::gTotDimAtBound  (  const int  boundary  )  const 
Get the total reduced virtual dimension at a certain boundary.
boundary  The boundary index 
Definition at line 297 of file SyBookkeeper.cpp.
int CheMPS2::SyBookkeeper::gTwoS  (  )  const 
Get twice the targeted spin.
Definition at line 147 of file SyBookkeeper.cpp.
int CheMPS2::SyBookkeeper::gTwoSmax  (  const int  boundary, 
const int  N  
)  const 
Get the maximum possible spin value for a certain boundary and particle number.
boundary  The boundary index 
N  The particle number 
Definition at line 161 of file SyBookkeeper.cpp.
int CheMPS2::SyBookkeeper::gTwoSmin  (  const int  boundary, 
const int  N  
)  const 
Get the minimum possible spin value for a certain boundary and particle number.
boundary  The boundary index 
N  The particle number 
Definition at line 159 of file SyBookkeeper.cpp.
bool CheMPS2::SyBookkeeper::IsPossible  (  )  const 
Get whether the desired symmetry sector is possible.
Definition at line 319 of file SyBookkeeper.cpp.
void CheMPS2::SyBookkeeper::restart  (  const int  start, 
const int  stop,  
const int  virtual_dim  
) 
Restart by setting the virtual dimensions from boundary start to boundary stop to FCI virtual dimensions based on the environment.
start  Start boundary index to create FCI virtual dimensions based on the environment 
stop  Stop boundary index to create FCI virtual dimensions based on the environment 
virtual_dim  The total virtual dimension to rescale the newly created symmetry sectors 
Definition at line 311 of file SyBookkeeper.cpp.
void CheMPS2::SyBookkeeper::SetDim  (  const int  boundary, 
const int  N,  
const int  TwoS,  
const int  irrep,  
const int  value  
) 
Get the current virtual dimensions.
boundary  The boundary index 
N  The particle number 
TwoS  Twice the spin sector 
irrep  The irrep 
value  The new dimension size 
Definition at line 167 of file SyBookkeeper.cpp.