#include <Heff.h>
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| Heff (const SyBookkeeper *denBKIn, const Problem *ProbIn, const double dvdson_rtol_in) |
| Constructor. More...
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virtual | ~Heff () |
| Destructor.
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double | SolveDAVIDSON (Sobject *denS, TensorL ***Ltensors, TensorOperator ****Atensors, TensorOperator ****Btensors, TensorOperator ****Ctensors, TensorOperator ****Dtensors, TensorS0 ****S0tensors, TensorS1 ****S1tensors, TensorF0 ****F0tensors, TensorF1 ****F1tensors, TensorQ ***Qtensors, TensorX **Xtensors, int nLower=0, double **VeffTilde=NULL) const |
| Davidson Solver. More...
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static int | phase (const int TwoTimesPower) |
| Phase function. More...
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Heff class.
- Author
- Sebastian Wouters sebas.nosp@m.tian.nosp@m.woute.nosp@m.rs@g.nosp@m.mail..nosp@m.com
- Date
- May 2, 2013
The Heff class contains the sparse eigensolver routines and effective Hamiltonian construction needed for the DMRG algorithm.
Definition at line 42 of file Heff.h.
CheMPS2::Heff::Heff |
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const SyBookkeeper * |
denBKIn, |
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const Problem * |
ProbIn, |
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const double |
dvdson_rtol_in |
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Constructor.
- Parameters
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Definition at line 31 of file Heff.cpp.
static int CheMPS2::Heff::phase |
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const int |
TwoTimesPower | ) |
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inlinestatic |
Phase function.
- Parameters
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TwoTimesPower | Twice the power of the phase (-1)^{power} |
- Returns
- The phase (-1)^{TwoTimesPower/2}
Definition at line 75 of file Heff.h.
double CheMPS2::Heff::SolveDAVIDSON |
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Sobject * |
denS, |
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TensorL *** |
Ltensors, |
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TensorOperator **** |
Atensors, |
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TensorOperator **** |
Btensors, |
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TensorOperator **** |
Ctensors, |
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TensorOperator **** |
Dtensors, |
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TensorS0 **** |
S0tensors, |
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TensorS1 **** |
S1tensors, |
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TensorF0 **** |
F0tensors, |
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TensorF1 **** |
F1tensors, |
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TensorQ *** |
Qtensors, |
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TensorX ** |
Xtensors, |
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int |
nLower = 0 , |
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double ** |
VeffTilde = NULL |
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Davidson Solver.
- Parameters
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denS | Initial guess S-object |
Ltensors | Pointer to the single contracted 2nd quantized operators |
Atensors | Spin-0 complementary operators of two creators |
Btensors | Spin-1 complementary operators of two creators |
Ctensors | Spin-0 complementary operators of a creator and an annihilator |
Dtensors | Spin-1 complementary operators of a creator and an annihilator |
S0tensors | Spin-0 reduction of two creators |
S1tensors | Spin-1 reduction of two creators |
F0tensors | Spin-0 reduction of a creator and an annihilator |
F1tensors | Spin-1 reduction of a creator and an annihilator |
Qtensors | Complementary operators of three sandwiched 2nd quantized operators |
Xtensors | Pointer to the completely contracted terms |
nLower | Number of lower-lying states to project out |
VeffTilde | The projection operators to project the nLower lower-lying states out |
Definition at line 317 of file Heff.cpp.
The documentation for this class was generated from the following files: