VMPS++
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Definition at line 297 of file NuclearManager.h.
#include <NuclearManager.h>
Public Member Functions | |
NuclearManager () | |
NuclearManager (int Nclosed_input, int Nsingle_input, int Z_input, const ArrayXi °_input, const vector< string > &labels_input, const ArrayXd &eps0_input, const ArrayXXd &Vij_input, double V0_input=1., bool REF_input=false, string PARAM_input="Seminole") | |
NuclearManager (int Nclosed_input, int Nsingle_input, int Z_input, const string &filename, double V0_input, bool REF_input=false) | |
void | construct () |
void | make_Hamiltonian (bool LOAD=false, bool SAVE=false, string wd="./", bool ODD=true) |
void | make_fullHamiltonian (bool LOAD=false, bool SAVE=false, string wd="./") |
tuple< Eigenstate< typename MODEL::StateXd >, string, int > | calc_gs (int Nshell, LANCZOS::EDGE::OPTION EDGE=LANCZOS::EDGE::GROUND, bool CALC_VAR=true, DMRG::VERBOSITY::OPTION VERB=DMRG::VERBOSITY::ON_EXIT) const |
Eigenstate< typename MODEL::StateXd > | calc_gs_full (int Nshell, LANCZOS::EDGE::OPTION EDGE=LANCZOS::EDGE::GROUND, bool CALC_VAR=true, DMRG::VERBOSITY::OPTION VERB=DMRG::VERBOSITY::ON_EXIT) const |
void | compute (bool LOAD_MPO=false, bool SAVE_MPO=false, string wd="./", int minNshell=0, int maxNshell=-1, bool SAVE=true) |
void | compute_parallel (bool LOADv=false, bool SAVE_MPO=false, string wd="./", int minNshell=0, int maxNshell=-1, bool SAVE=true) |
ArrayXd | get_occ () const |
ArrayXd | get_eps0 () const |
ArrayXi | get_deg () const |
ArrayXi | get_offset () const |
size_t | length () const |
ArrayXd | get_sign () |
ArrayXd | get_levelsign (int level) |
VectorXd | get_onsite_free () const |
MODEL | get_H () const |
MODEL | get_Hfull () const |
double | Sn_Eref (int N) const |
ArrayXd | Sn_nref (int Nshell) const |
ArrayXd | Sn_Nref (int Nshell) const |
ArrayXd | Sn_Pref (int Nshell) const |
ArrayXd | Sn_Sref14 () const |
const Eigenstate< typename MODEL::StateXd > & | get_g (int Nshell) const |
MatrixXd | get_Ghop () const |
VectorXd | get_onsite () const |
VectorXd | get_Gloc () const |
VectorXi | get_mfactor () const |
std::array< MatrixXd, 2 > | get_FlipChart () const |
ArrayXXd | get_sign2d () const |
vector< tuple< orbital, orbital, orbital, orbital, double, orbinfo > > | generate_couplingList (int J) const |
tuple< Eigenstate< typename VMPS::HubbardU1::StateXd >, string, int > | calc_gs (int Nshell, LANCZOS::EDGE::OPTION EDGE, bool CALC_VAR, DMRG::VERBOSITY::OPTION VERB) const |
tuple< Eigenstate< typename VMPS::HubbardU1xU1::StateXd >, string, int > | calc_gs (int Nshell, LANCZOS::EDGE::OPTION EDGE, bool CALC_VAR, DMRG::VERBOSITY::OPTION VERB) const |
tuple< Eigenstate< typename VMPS::HeisenbergU1::StateXd >, string, int > | calc_gs (int Nshell, LANCZOS::EDGE::OPTION EDGE, bool CALC_VAR, DMRG::VERBOSITY::OPTION VERB) const |
void | compute (bool LOAD_MPO, bool SAVE_MPO, string wd, int minNshell, int maxNshell, bool SAVE) |
void | compute (bool LOAD_MPO, bool SAVE_MPO, string wd, int minNshell, int maxNshell, bool SAVE) |
void | compute (bool LOAD_MPO, bool SAVE_MPO, string wd, int minNshell, int maxNshell, bool SAVE) |
void | compute_parallel (bool LOAD_MPO, bool SAVE_MPO, string wd, int minNshell, int maxNshell, bool SAVE) |
void | compute_parallel (bool LOAD_MPO, bool SAVE_MPO, string wd, int minNshell, int maxNshell, bool SAVE) |
void | compute_parallel (bool LOAD_MPO, bool SAVE_MPO, string wd, int minNshell, int maxNshell, bool SAVE) |
Private Member Functions | |
void | save (string wd, int Nfrst=0, int Nlast=-1, int dNshell=1) const |
vector< Mpo< typename MODEL::Symmetry > > | make_cdagj (const MODEL &H_input) const |
Mpo< typename MODEL::Symmetry > | make_cdagj (int j, const MODEL &H_input) const |
vector< Mpo< typename VMPS::HubbardU1::Symmetry > > | make_cdagj (const VMPS::HubbardU1 &H_input) const |
Mpo< typename VMPS::HubbardU1::Symmetry > | make_cdagj (int j, const VMPS::HubbardU1 &H_input) const |
vector< Mpo< typename VMPS::HubbardU1xU1::Symmetry > > | make_cdagj (const VMPS::HubbardU1xU1 &H_input) const |
Mpo< typename VMPS::HubbardU1xU1::Symmetry > | make_cdagj (int j, const VMPS::HubbardU1xU1 &H_input) const |
vector< Mpo< typename VMPS::HeisenbergU1::Symmetry > > | make_cdagj (const VMPS::HeisenbergU1 &H_input) const |
Private Attributes | |
bool | REF = false |
string | PARAM = "Seminole" |
int | Nclosed |
int | Nsingle |
int | Z |
int | Nlev |
size_t | L |
string | levelstring |
vector< string > | labels |
VectorXi | deg |
VectorXi | offset |
VectorXi | mfactor |
VectorXd | eps0 |
ArrayXd | sign |
std::array< MatrixXd, 2 > | FlipChart |
vector< boost::rational< int > > | mlist |
vector< boost::rational< int > > | jlist |
vector< int > | orblist |
ArrayXXd | sign2d |
vector< ArrayXd > | sign_per_level |
MatrixXd | Vij |
MatrixXd | Ghop |
double | V0 |
VectorXd | onsite |
VectorXd | Gloc |
VectorXd | onsite_free |
VectorXd | energies |
VectorXd | energies_free |
string | outfile |
vector< Eigenstate< typename MODEL::StateXd > > | g |
vector< double > | var |
vector< int > | Mmax |
vector< VectorXd > | n |
vector< VectorXd > | avgN |
vector< string > | Jlabel |
vector< int > | Jindex |
MODEL | H |
vector< MODEL > | Hodd |
MODEL | Hfull |
vector< MODEL > | Hperturb |
vector< double > | perturb_sweeps |
vector< Mpo< typename MODEL::Symmetry > > | cdagj |
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Definition at line 301 of file NuclearManager.h.
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Definition at line 303 of file NuclearManager.h.
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Definition at line 317 of file NuclearManager.h.
tuple< Eigenstate< typename VMPS::HubbardU1::StateXd >, string, int > NuclearManager< VMPS::HubbardU1 >::calc_gs | ( | int | Nshell, |
LANCZOS::EDGE::OPTION | EDGE, | ||
bool | CALC_VAR, | ||
DMRG::VERBOSITY::OPTION | VERB | ||
) | const |
Definition at line 1243 of file NuclearManager.h.
tuple< Eigenstate< typename VMPS::HubbardU1xU1::StateXd >, string, int > NuclearManager< VMPS::HubbardU1xU1 >::calc_gs | ( | int | Nshell, |
LANCZOS::EDGE::OPTION | EDGE, | ||
bool | CALC_VAR, | ||
DMRG::VERBOSITY::OPTION | VERB | ||
) | const |
Definition at line 1421 of file NuclearManager.h.
tuple< Eigenstate< typename VMPS::HeisenbergU1::StateXd >, string, int > NuclearManager< VMPS::HeisenbergU1 >::calc_gs | ( | int | Nshell, |
LANCZOS::EDGE::OPTION | EDGE, | ||
bool | CALC_VAR, | ||
DMRG::VERBOSITY::OPTION | VERB | ||
) | const |
Definition at line 1830 of file NuclearManager.h.
tuple< Eigenstate< typename MODEL::StateXd >, string, int > NuclearManager< MODEL >::calc_gs | ( | int | Nshell, |
LANCZOS::EDGE::OPTION | EDGE = LANCZOS::EDGE::GROUND , |
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bool | CALC_VAR = true , |
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DMRG::VERBOSITY::OPTION | VERB = DMRG::VERBOSITY::ON_EXIT |
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) | const |
Eigenstate< typename MODEL::StateXd > NuclearManager< MODEL >::calc_gs_full | ( | int | Nshell, |
LANCZOS::EDGE::OPTION | EDGE = LANCZOS::EDGE::GROUND , |
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bool | CALC_VAR = true , |
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DMRG::VERBOSITY::OPTION | VERB = DMRG::VERBOSITY::ON_EXIT |
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) | const |
Definition at line 1522 of file NuclearManager.h.
void NuclearManager< VMPS::HubbardU1xU1 >::compute | ( | bool | LOAD_MPO, |
bool | SAVE_MPO, | ||
string | wd, | ||
int | minNshell, | ||
int | maxNshell, | ||
bool | SAVE | ||
) |
Definition at line 1885 of file NuclearManager.h.
void NuclearManager< VMPS::HubbardU1 >::compute | ( | bool | LOAD_MPO, |
bool | SAVE_MPO, | ||
string | wd, | ||
int | minNshell, | ||
int | maxNshell, | ||
bool | SAVE | ||
) |
Definition at line 2014 of file NuclearManager.h.
void NuclearManager< VMPS::HeisenbergU1 >::compute | ( | bool | LOAD_MPO, |
bool | SAVE_MPO, | ||
string | wd, | ||
int | minNshell, | ||
int | maxNshell, | ||
bool | SAVE | ||
) |
Definition at line 2166 of file NuclearManager.h.
void NuclearManager< MODEL >::compute | ( | bool | LOAD_MPO = false , |
bool | SAVE_MPO = false , |
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string | wd = "./" , |
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int | minNshell = 0 , |
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int | maxNshell = -1 , |
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bool | SAVE = true |
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) |
void NuclearManager< VMPS::HubbardU1 >::compute_parallel | ( | bool | LOAD_MPO, |
bool | SAVE_MPO, | ||
string | wd, | ||
int | minNshell, | ||
int | maxNshell, | ||
bool | SAVE | ||
) |
Definition at line 2282 of file NuclearManager.h.
void NuclearManager< VMPS::HubbardU1xU1 >::compute_parallel | ( | bool | LOAD_MPO, |
bool | SAVE_MPO, | ||
string | wd, | ||
int | minNshell, | ||
int | maxNshell, | ||
bool | SAVE | ||
) |
Definition at line 2371 of file NuclearManager.h.
void NuclearManager< VMPS::HeisenbergU1 >::compute_parallel | ( | bool | LOAD_MPO, |
bool | SAVE_MPO, | ||
string | wd, | ||
int | minNshell, | ||
int | maxNshell, | ||
bool | SAVE | ||
) |
Definition at line 2460 of file NuclearManager.h.
void NuclearManager< MODEL >::compute_parallel | ( | bool | LOADv = false , |
bool | SAVE_MPO = false , |
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string | wd = "./" , |
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int | minNshell = 0 , |
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int | maxNshell = -1 , |
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bool | SAVE = true |
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void NuclearManager< MODEL >::construct |
Definition at line 431 of file NuclearManager.h.
vector< tuple< orbital, orbital, orbital, orbital, double, orbinfo > > NuclearManager< MODEL >::generate_couplingList | ( | int | J | ) | const |
Definition at line 1149 of file NuclearManager.h.
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ArrayXd NuclearManager< MODEL >::get_occ |
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Definition at line 1111 of file NuclearManager.h.
void NuclearManager< MODEL >::make_fullHamiltonian | ( | bool | LOAD = false , |
bool | SAVE = false , |
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string | wd = "./" |
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Definition at line 950 of file NuclearManager.h.
void NuclearManager< MODEL >::make_Hamiltonian | ( | bool | LOAD = false , |
bool | SAVE = false , |
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string | wd = "./" , |
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bool | ODD = true |
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) |
Definition at line 774 of file NuclearManager.h.
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double NuclearManager< MODEL >::Sn_Eref | ( | int | N | ) | const |
Definition at line 605 of file NuclearManager.h.
ArrayXd NuclearManager< MODEL >::Sn_nref | ( | int | Nshell | ) | const |
Definition at line 661 of file NuclearManager.h.
ArrayXd NuclearManager< MODEL >::Sn_Nref | ( | int | Nshell | ) | const |
Definition at line 675 of file NuclearManager.h.
ArrayXd NuclearManager< MODEL >::Sn_Pref | ( | int | Nshell | ) | const |
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ArrayXd NuclearManager< MODEL >::Sn_Sref14 |
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