DMRG_QC Code

DMRG code for Quantum-Chemistry Hamiltonians

Status: Pre-Alpha

Brought to you by: yurielnf

Tree [5d92af] master / History

File	Date	Author	Commit
bisection.h	2017-07-14	yurielnf	[5d92af] Initial commit
block.cpp	2017-07-14	yurielnf	[5d92af] Initial commit
block.h	2017-07-14	yurielnf	[5d92af] Initial commit
brent.cpp	2017-07-14	yurielnf	[5d92af] Initial commit
brent.h	2017-07-14	yurielnf	[5d92af] Initial commit
correctionvector.h	2017-07-14	yurielnf	[5d92af] Initial commit
dmrg.cpp	2017-07-14	yurielnf	[5d92af] Initial commit
dmrg.h	2017-07-14	yurielnf	[5d92af] Initial commit
dmrg.pro	2017-07-14	yurielnf	[5d92af] Initial commit
dmrg.pro.user	2017-07-14	yurielnf	[5d92af] Initial commit
dmrgcv.cpp	2017-07-14	yurielnf	[5d92af] Initial commit
dmrgcv.h	2017-07-14	yurielnf	[5d92af] Initial commit
gmres_m.h	2017-07-14	yurielnf	[5d92af] Initial commit
hamiltonian.cpp	2017-07-14	yurielnf	[5d92af] Initial commit
hamiltonian.h	2017-07-14	yurielnf	[5d92af] Initial commit
hamiltonianhall.cpp	2017-07-14	yurielnf	[5d92af] Initial commit
hamiltonianhall.h	2017-07-14	yurielnf	[5d92af] Initial commit
hamiltonianimp.cpp	2017-07-14	yurielnf	[5d92af] Initial commit
hamiltonianimp.h	2017-07-14	yurielnf	[5d92af] Initial commit
hamiltonianimp2.cpp	2017-07-14	yurielnf	[5d92af] Initial commit
hamiltonianimp2.h	2017-07-14	yurielnf	[5d92af] Initial commit
hamiltonianimp4.cpp	2017-07-14	yurielnf	[5d92af] Initial commit
hamiltonianimp4.h	2017-07-14	yurielnf	[5d92af] Initial commit
hybridization.cpp	2017-07-14	yurielnf	[5d92af] Initial commit
hybridization.h	2017-07-14	yurielnf	[5d92af] Initial commit
lanczos.h	2017-07-14	yurielnf	[5d92af] Initial commit
lanczosdynamics.h	2017-07-14	yurielnf	[5d92af] Initial commit
lehmann.h	2017-07-14	yurielnf	[5d92af] Initial commit
linearalgebra.cpp	2017-07-14	yurielnf	[5d92af] Initial commit
linearalgebra.h	2017-07-14	yurielnf	[5d92af] Initial commit
main.cpp	2017-07-14	yurielnf	[5d92af] Initial commit
operatorterm.cpp	2017-07-14	yurielnf	[5d92af] Initial commit
operatorterm.h	2017-07-14	yurielnf	[5d92af] Initial commit
oprep.h	2017-07-14	yurielnf	[5d92af] Initial commit
parameters.cpp	2017-07-14	yurielnf	[5d92af] Initial commit
parameters.h	2017-07-14	yurielnf	[5d92af] Initial commit
parameters.txt	2017-07-14	yurielnf	[5d92af] Initial commit
readme.txt	2017-07-14	yurielnf	[5d92af] Initial commit
renormalization.cpp	2017-07-14	yurielnf	[5d92af] Initial commit
renormalization.h	2017-07-14	yurielnf	[5d92af] Initial commit
sbtools.cpp	2017-07-14	yurielnf	[5d92af] Initial commit
sbtools.h	2017-07-14	yurielnf	[5d92af] Initial commit
superblock.cpp	2017-07-14	yurielnf	[5d92af] Initial commit
superblock.h	2017-07-14	yurielnf	[5d92af] Initial commit
tensor.cpp	2017-07-14	yurielnf	[5d92af] Initial commit
tensor.h	2017-07-14	yurielnf	[5d92af] Initial commit
tensorsource.cpp	2017-07-14	yurielnf	[5d92af] Initial commit
tests.cpp	2017-07-14	yurielnf	[5d92af] Initial commit
tests.h	2017-07-14	yurielnf	[5d92af] Initial commit
tools.h	2017-07-14	yurielnf	[5d92af] Initial commit
wavefunction.cpp	2017-07-14	yurielnf	[5d92af] Initial commit
wavefunction.h	2017-07-14	yurielnf	[5d92af] Initial commit

File

Date

Author

Commit

bisection.h

2017-07-14

yurielnf

[5d92af] Initial commit

block.cpp

2017-07-14

yurielnf

[5d92af] Initial commit

block.h

2017-07-14

yurielnf

[5d92af] Initial commit

brent.cpp

2017-07-14

yurielnf

[5d92af] Initial commit

brent.h

2017-07-14

yurielnf

[5d92af] Initial commit

correctionvector.h

2017-07-14

yurielnf

[5d92af] Initial commit

dmrg.cpp

2017-07-14

yurielnf

[5d92af] Initial commit

dmrg.h

2017-07-14

yurielnf

[5d92af] Initial commit

dmrg.pro

2017-07-14

yurielnf

[5d92af] Initial commit

dmrg.pro.user

2017-07-14

yurielnf

[5d92af] Initial commit

dmrgcv.cpp

2017-07-14

yurielnf

[5d92af] Initial commit

dmrgcv.h

2017-07-14

yurielnf

[5d92af] Initial commit

gmres_m.h

2017-07-14

yurielnf

[5d92af] Initial commit

hamiltonian.cpp

2017-07-14

yurielnf

[5d92af] Initial commit

hamiltonian.h

2017-07-14

yurielnf

[5d92af] Initial commit

hamiltonianhall.cpp

2017-07-14

yurielnf

[5d92af] Initial commit

hamiltonianhall.h

2017-07-14

yurielnf

[5d92af] Initial commit

hamiltonianimp.cpp

2017-07-14

yurielnf

[5d92af] Initial commit

hamiltonianimp.h

2017-07-14

yurielnf

[5d92af] Initial commit

hamiltonianimp2.cpp

2017-07-14

yurielnf

[5d92af] Initial commit

hamiltonianimp2.h

2017-07-14

yurielnf

[5d92af] Initial commit

hamiltonianimp4.cpp

2017-07-14

yurielnf

[5d92af] Initial commit

hamiltonianimp4.h

2017-07-14

yurielnf

[5d92af] Initial commit

hybridization.cpp

2017-07-14

yurielnf

[5d92af] Initial commit

hybridization.h

2017-07-14

yurielnf

[5d92af] Initial commit

lanczos.h

2017-07-14

yurielnf

[5d92af] Initial commit

lanczosdynamics.h

2017-07-14

yurielnf

[5d92af] Initial commit

lehmann.h

2017-07-14

yurielnf

[5d92af] Initial commit

linearalgebra.cpp

2017-07-14

yurielnf

[5d92af] Initial commit

linearalgebra.h

2017-07-14

yurielnf

[5d92af] Initial commit

main.cpp

2017-07-14

yurielnf

[5d92af] Initial commit

operatorterm.cpp

2017-07-14

yurielnf

[5d92af] Initial commit

operatorterm.h

2017-07-14

yurielnf

[5d92af] Initial commit

oprep.h

2017-07-14

yurielnf

[5d92af] Initial commit

parameters.cpp

2017-07-14

yurielnf

[5d92af] Initial commit

parameters.h

2017-07-14

yurielnf

[5d92af] Initial commit

parameters.txt

2017-07-14

yurielnf

[5d92af] Initial commit

readme.txt

2017-07-14

yurielnf

[5d92af] Initial commit

renormalization.cpp

2017-07-14

yurielnf

[5d92af] Initial commit

renormalization.h

2017-07-14

yurielnf

[5d92af] Initial commit

sbtools.cpp

2017-07-14

yurielnf

[5d92af] Initial commit

sbtools.h

2017-07-14

yurielnf

[5d92af] Initial commit

superblock.cpp

2017-07-14

yurielnf

[5d92af] Initial commit

superblock.h

2017-07-14

yurielnf

[5d92af] Initial commit

tensor.cpp

2017-07-14

yurielnf

[5d92af] Initial commit

tensor.h

2017-07-14

yurielnf

[5d92af] Initial commit

tensorsource.cpp

2017-07-14

yurielnf

[5d92af] Initial commit

tests.cpp

2017-07-14

yurielnf

[5d92af] Initial commit

tests.h

2017-07-14

yurielnf

[5d92af] Initial commit

tools.h

2017-07-14

yurielnf

[5d92af] Initial commit

wavefunction.cpp

2017-07-14

yurielnf

[5d92af] Initial commit

wavefunction.h

2017-07-14

yurielnf

[5d92af] Initial commit

Read Me

**** Many particles in a box, nearest neighbor hopping ****** - lanczosimproved with error and orthogonality check - superblock4, operators as pointer, copied using 'new' - identity as nullptr - Wavefuncion class defined, with +-*/ operators overload. Four indices i,j,k,l in this order - OpRep as arma::mat - Wavefunction Prediction 13 VC iter; 12 VC iter; m=108 12 terms; 37 lancz iter; nT=24.0006966; 25 23 -31.2446831

DMRG_QC Code

DMRG code for Quantum-Chemistry Hamiltonians

Branches

Tree [5d92af] master / Download Snapshot History

Read Me

Tree [5d92af] master /

History