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It is especially optimized for the Hubbard Hamiltonian\ntype model Hamiltonians. The core feature which the program is specialized for\nis the adressing of determinant in an efficient manner to quickly construct the\nHamiltonian non-zero matrix-elements. Once the Hamiltonian is constructed in \nits sparse format, it is stored in distributed memory for all linear algebra\noperations.\n\nThe main work of diagonalizing the Hamiltonian is performed using PETSc and\nSLEPc helper functions. These functions return the eigenvectors which are \nnot stored to disk by default due to their large size. \n\nThis project also contains subroutines which analyze the wavefunction in \nits distributed memory form and calculates the various observables. The\noutput of the program are the energies and the various observables such as \nthe total Spin, various Spin-Spin correlation functions, and one-and two-body\ndensity matrices.\n\nNote: Caluculation of S2 can be deactivated to save memory and perform \nlarger matrix diagonalizations.\n\n_Dependencies_\n---------------\n\n  1. [PETSc](https://www.mcs.anl.gov/petsc/documentation/installation.html) \n\n  2. [SLEPc](http://slepc.upv.es/documentation/instal.htm)\n\n  3. [IGraph](http://igraph.org/c/)\n\n  4. [slaterlib](http://github.com/scemama/slaterlib)\n\n_Compiling_\n------------\n\n  1. Configure with explicit paths of installation directories of PETSc and SLEPc.\n\n```shell\n./autogen.sh\n./configure CFLAGS=\"-I{PATH-TO-INCLUDE-SLEPC-PETSC-FILES} \" LDFLAGS=\"-L{PATH-FOR-LIBRARY-FILES} -lpetsc -lslepc -lpetsc -lslater -ligraph -lm\"  CC=mpicc\n```\n\n\n  2. Make the executable\n\n```shell\nmake\nmake install\n```\n\n\n_Using HubHam_\n---------------\n\n  1. The HubHam program requires an input file which \n   has is in the `graphml` format. A few sample files\n   have been provided in the `data/` directory.\n\n\n  2. running HubHam\n\n```shell\nmpiexec -n [nprocs] ./bin/ex1 -eps_nev 10 -f data/c8h8_mma.graphml \n```\n\n_Publications using this code_\n-------------------------------\n\n  1. High-Spin Chains and Crowns from Double-Exchange Mechanism [doi:10.3390/cryst6040039](http://www.dx.doi.org/10.3390/cryst6040039)\n","project_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fv1j4y%2Fhubham","html_url":"https://awesome.ecosyste.ms/projects/github.com%2Fv1j4y%2Fhubham","lists_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fv1j4y%2Fhubham/lists"}