prg_sp2_mod.F90 File Reference

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Modules
module	prg_sp2_mod
	The SP2 module.

Functions/Subroutines
subroutine, public	prg_sp2_mod::prg_sp2_basic (h_bml, rho_bml, threshold, bndfil, minsp2iter, maxsp2iter, sp2conv, idemtol, verbose)
	Calculates the density matrix from a Hamiltonian matrix by purification. The method implemented here is the very first verion of the SP2 method. More...
subroutine, public	prg_sp2_mod::prg_sp2_basic_tcore (h_bml, rho_bml, rhofull_bml, threshold, bndfil, minsp2iter, maxsp2iter, sp2conv, idemtol, verbose)
subroutine, public	prg_sp2_mod::prg_sp2_alg2 (h_bml, rho_bml, threshold, bndfil, minsp2iter, maxsp2iter, sp2conv, idemtol, verbose)
subroutine, public	prg_sp2_mod::prg_sp2_alg2_genseq (h_bml, rho_bml, threshold, bndfil, minsp2iter, maxsp2iter, sp2conv, idemtol, pp, icount, vv, verbose)
subroutine, public	prg_sp2_mod::prg_sp2_alg2_seq (h_bml, rho_bml, threshold, pp, icount, vv, verbose)
subroutine, public	prg_sp2_mod::prg_prg_sp2_alg2_seq_inplace (rho_bml, threshold, pp, icount, vv, mineval, maxeval, verbose)
subroutine, public	prg_sp2_mod::prg_sp2_alg1 (h_bml, rho_bml, threshold, bndfil, minsp2iter, maxsp2iter, sp2conv, idemtol, verbose)
subroutine, public	prg_sp2_mod::prg_sp2_alg1_genseq (h_bml, rho_bml, threshold, bndfil, minsp2iter, maxsp2iter, sp2conv, idemtol, pp, icount, vv)
subroutine, public	prg_sp2_mod::prg_sp2_alg1_seq (h_bml, rho_bml, threshold, pp, icount, vv)
subroutine, public	prg_sp2_mod::prg_prg_sp2_alg1_seq_inplace (rho_bml, threshold, pp, icount, vv, mineval, maxeval)
subroutine, public	prg_sp2_mod::prg_sp2_submatrix (ham_bml, rho_bml, threshold, pp, icount, vv, mineval, maxeval, core_size)
	Perform SP2 algorithm using sequence and calculate norm for a submatrix. More...
subroutine, public	prg_sp2_mod::prg_sp2_submatrix_inplace (rho_bml, threshold, pp, icount, vv, mineval, maxeval, core_size)

Variables
integer, parameter	prg_sp2_mod::dp = kind(1.0d0)
integer, parameter	prg_sp2_mod::dp1 = kind(1.0)