prg_sp2_fermi_mod.F90 File Reference

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Modules
module	prg_sp2_fermi_mod
	The SP2 Fermi module.

Functions/Subroutines
subroutine, public	prg_sp2_fermi_mod::prg_sp2_fermi_init (h_bml, nsteps, nocc, tscale, threshold, occErrLimit, traceLimit, x_bml, mu, beta, h1, hN, sgnlist)
	Truncated SP2 prg_initialization. More...
subroutine, public	prg_sp2_fermi_mod::prg_sp2_fermi_init_norecs (h_bml, nsteps, nocc, tscale, threshold, occErrLimit, traceLimit, x_bml, mu, beta, h1, hN, sgnlist, verbose)
	Truncated SP2 prg_initialization. This routine also gives back the Number of SP2 recursive steps that gets a Pseudo-Fermi distribution with a temperature close to the target temperature which is entered using parameter beta = (1/KbT). More...
subroutine, public	prg_sp2_fermi_mod::prg_sp2_fermi (h_bml, osteps, nsteps, nocc, mu, beta, h1, hN, sgnlist, threshold, eps, traceLimit, x_bml)
	Calculate Truncated SP2. More...
subroutine, public	prg_sp2_fermi_mod::prg_sp2_entropy_function (mu, h1, hN, nsteps, sgnlist, GG, ee)
	Calculate SP2 entropy function using gaussian quadrature. Note that GG and ee are allocated and returned from this routine. More...
real(dp) function, public	prg_sp2_fermi_mod::sp2_entropy_ts (D0_bml, GG, ee)
	Test SP2 entropy. Get the entropy contribution TS to the total free energy. More...
real(dp) function, public	prg_sp2_fermi_mod::sp2_inverse (f, mu, h1, hN, nsteps, sgnlist)
	Calculate the SP2 inverse. More...
real(dp) function	prg_sp2_fermi_mod::absmaxderivative (func, de)
	Gets the absolute maximum of the derivative of a function. More...

Variables
integer, parameter	prg_sp2_fermi_mod::dp = kind(1.0d0)