prg_c_interface Module Reference

Functions/Subroutines
subroutine, public	prg_version_c ()
subroutine, public	prg_progress_init_c ()
subroutine, public	prg_progress_shutdown_c ()
subroutine, public	prg_build_density_t0_c (norbs, ham_bml_c, rho_bml_c, threshold, bndfil, eigenvalues_out)
subroutine, public	prg_build_density_t_c (norbs, ham_bml_c, rho_bml_c, threshold, bndfil, kbt, ef, eigenvalues_out)
subroutine, public	prg_build_density_t_fulldata_c (norbs, ham_bml_c, rho_bml_c, threshold, bndfil, kbt, ef, eigenvalues_out, evects_bml_c, fvals_out)
subroutine, public	prg_build_density_t_ed_c (norbs, ham_bml_c, rho_bml_c, evects_bml_c, threshold, bndfil, kbt, ef, evals_out, dvals_out, hindex_out, llsize, verbose)
subroutine, public	prg_get_evalsdvalsevects_c (norbs, ham_bml_c, threshold, hindex_in, llsize, evals_out, dvals_out, evects_bml_c, verbose)
subroutine, public	prg_build_density_fromevalsandevects_c (norbs, evects_bml_c, evals, rho_bml_c, threshold, bndfil, kbt, ef, verbose)
subroutine, public	prg_build_density_t_fermi_c (ham_bml_c, rho_bml_c, threshold, kbt, ef, verbose, drho)
subroutine, public	prg_build_atomic_density_c (rhoat_bml_c, numel, hindex, spindex, norb, bml_type)
subroutine, public	prg_get_flevel_c (norbs, eigenvalues, kbt, bndfil, tol, Ef)
subroutine, public	prg_get_flevel_nt_c (norbs, eigenvalues, kbt, bndfil, tol, ef, verbose)
subroutine, public	prg_get_eigenvalues_c (norbs, ham_bml_c, eigenvalues_out, verbose)
subroutine, public	prg_check_idempotency_c (mat_bml_c, threshold, idempotency)
subroutine, public	prg_toeigenspace_c (mat_bml_c, matEig_bml_c, evects_bml_c, threshold, verbose)
subroutine, public	prg_tocanonicalspace_c (mat_bml_c, matCan_bml_c, evects_bml_c, threshold, verbose)
subroutine, public	canon_dm_prt_c (P1, H1, Nocc, T, Q, e, mu0, m, HDIM)
subroutine	prg_get_charges_c (nats, norbs, rho_bml_c, over_bml_c, hindex, charges, numel, spindex, mdimin, threshold)
subroutine	prg_get_hscf_c (nats, ham0_bml_c, over_bml_c, ham_bml_c, spindex, hindex, hubbardu, charges, coulomb_pot_r, coulomb_pot_k, mdimin, threshold)
subroutine	prg_get_hscf_v2_c (nats, ham0_bml_c, over_bml_c, ham_bml_c, spindex, hindex, hubbardu, charges, coulomb_pot_r, coulomb_pot_k, mdimin, threshold)
subroutine	prg_build_density_cheb_c (ham_bml_c, rho_bml_c, athr, threshold, ncoeffs, kbt, ef, bndfil, jon, verbose)
subroutine	prg_build_density_cheb_fermi_c (ham_bml_c, rho_bml_c, athr, threshold, ncoeffs, kbt, ef, bndfil, getef, fermitol, jon, npts, trkfunc, verbose)
subroutine	prg_write_tdos_c (nstates, eigenvals, gamma, npts, emin, emax, filename)
subroutine	ewald_real_space_single_latte_c (COULOMBV, I, RXYZ, Box, Nr_elem, DELTAQ, J, U, Element_Pointer, Nr_atoms, COULACC, HDIM, Max_Nr_Neigh)
subroutine	ewald_real_space_single_c (COULOMBV, FCOUL, I, RX, RY, RZ, LBox, DELTAQ, J, U, Element_Type, Nr_atoms, COULACC, TIMERATIO, HDIM, Max_Nr_Neigh)
subroutine	ewald_real_space_matrix_latte_c (E, RXYZ, Box, U, Element_Pointer, Nr_atoms, COULACC, nebcoul, totnebcoul, HDIM, Max_Nr_Neigh, Nr_Elem)
subroutine	ewald_real_space_latte_c (COULOMBV, I, RXYZ, Box, DELTAQ, U, Element_Pointer, Nr_atoms, COULACC, nebcoul, totnebcoul, HDIM, Max_Nr_Neigh, Nr_Elem)
subroutine	ewald_real_space_test_c (COULOMBV, I, RX, RY, RZ, LBox, DELTAQ, U, Element_Type, Nr_atoms, COULACC, nnRx, nnRy, nnRz, nrnnlist, nnType, Max_Nr_Neigh)
subroutine	ewald_real_space_c (COULOMBV, FCOUL, I, RX, RY, RZ, LBox, DELTAQ, U, Element_Type, Nr_atoms, COULACC, TIMERATIO, nnRx, nnRy, nnRz, nrnnlist, nnType, HDIM, Max_Nr_Neigh)
subroutine	prg_normalize_c (h_bml_c)
subroutine	prg_normalize_fermi_c (h_bml_c, h1, hN, mu)
subroutine	prg_normalize_implicit_fermi_c (h_bml_c, cnst, mu)
subroutine	prg_normalize_cheb_c (h_bml_c, mu, emin, emax, alpha, scaledmu)
subroutine	prg_sp2_fermi_init_c (h_bml_c, nsteps, nocc, tscale, threshold, occErrLimit, traceLimit, x_bml_c, mu, beta, h1, hN, sgnlist)
subroutine	prg_sp2_fermi_init_norecs_c (h_bml_c, nsteps, nocc, tscale, threshold, occErrLimit, traceLimit, x_bml_c, mu, beta, h1, hN, sgnlist, verbose)
subroutine	prg_sp2_fermi_c (h_bml_c, osteps, nsteps, nocc, mu, beta, h1, hN, sgnlist, threshold, eps, traceLimit, x_bml_c)
subroutine	prg_sp2_entropy_function_c (mu, h1, hN, nsteps, sgnlist, GG, ee)
subroutine	prg_sp2_basic_c (h_bml_c, rho_bml_c, threshold, bndfil, minsp2iter, maxsp2iter, sp2conv, idemtol, verbose)
subroutine	prg_sp2_basic_tcore_c (h_bml_c, rho_bml_c, rhofull_bml_c, threshold, bndfil, minsp2iter, maxsp2iter, sp2conv, idemtol, verbose)
subroutine	prg_sp2_alg2_c (h_bml_c, rho_bml_c, threshold, bndfil, minsp2iter, maxsp2iter, sp2conv, idemtol, verbose)
subroutine	prg_sp2_alg2_genseq_c (h_bml_c, rho_bml_c, threshold, bndfil, minsp2iter, maxsp2iter, sp2conv, idemtol, pp, icount, vv, verbose)
subroutine	prg_sp2_alg2_seq_c (h_bml_c, rho_bml_c, threshold, pp, icount, vv, verbose)
subroutine	prg_prg_sp2_alg2_seq_inplace_c (rho_bml_c, threshold, pp, icount, vv, mineval, maxeval, verbose)
subroutine	prg_sp2_alg1_c (h_bml_c, rho_bml_c, threshold, bndfil, minsp2iter, maxsp2iter, sp2conv, idemtol, verbose)
subroutine	prg_sp2_alg1_seq_c (h_bml_c, rho_bml_c, threshold, pp, icount, vv)
subroutine	prg_prg_sp2_alg1_seq_inplace_c (rho_bml_c, threshold, pp, icount, vv, mineval, maxeval)
subroutine	prg_sp2_submatrix_c (ham_bml_c, rho_bml_c, threshold, pp, icount, vv, mineval, maxeval, core_size)
subroutine	prg_sp2_submatrix_inplace_c (rho_bml_c, threshold, pp, icount, vv, mineval, maxeval, core_size)
subroutine	timer_prg_init_c ()
subroutine	prg_timer_shutdown_c ()
subroutine	prg_timer_start_c (itimer, tag)
subroutine	prg_timer_stop_c (itimer, verbose)
subroutine	prg_timer_collect_c ()
subroutine	prg_timer_results_c ()
subroutine	prg_print_date_and_time_c (tag)
subroutine	prg_open_file_c (io, name)
subroutine	prg_open_file_to_read_c (io, name)

Function/Subroutine Documentation

canon_dm_prt_c()

subroutine, public prg_c_interface::canon_dm_prt_c	(	real(c_double), dimension(hdim, hdim), intent(out)	P1,
		real(c_double), dimension(hdim, hdim), intent(in)	H1,
		real(c_double), value	Nocc,
		real(c_double), value	T,
		real(c_double), dimension(hdim, hdim), intent(in)	Q,
		real(c_double), dimension(hdim), intent(in)	e,
		real(c_double), value	mu0,
		integer(c_int), value	m,
		integer(c_int), value	HDIM
	)

Definition at line 326 of file prg_c_interface.F90.

ewald_real_space_c()

subroutine prg_c_interface::ewald_real_space_c	(	real(c_double), intent(out)	COULOMBV,
		real(c_double), dimension(3), intent(out)	FCOUL,
		integer(c_int), value	I,
		real(c_double), dimension(nr_atoms), target	RX,
		real(c_double), dimension(nr_atoms), target	RY,
		real(c_double), dimension(nr_atoms), target	RZ,
		real(c_double), dimension(3), target	LBox,
		real(c_double), dimension(nr_atoms), target	DELTAQ,
		real(c_double), dimension(nr_atoms), target	U,
		character(c_char), dimension(nr_atoms), target	Element_Type,
		integer(c_int), value	Nr_atoms,
		real(c_double), value	COULACC,
		real(c_double), value	TIMERATIO,
		real(c_double), dimension(nr_atoms,max_nr_neigh), target	nnRx,
		real(c_double), dimension(nr_atoms,max_nr_neigh), target	nnRy,
		real(c_double), dimension(nr_atoms,max_nr_neigh), target	nnRz,
		integer(c_int), dimension(nr_atoms), target	nrnnlist,
		integer(c_int), dimension(nr_atoms,max_nr_neigh), target	nnType,
		integer(c_int), value	HDIM,
		integer(c_int), value	Max_Nr_Neigh
	)

Definition at line 611 of file prg_c_interface.F90.

ewald_real_space_latte_c()

subroutine prg_c_interface::ewald_real_space_latte_c	(	real(c_double), intent(out)	COULOMBV,
		integer(c_int), value	I,
		real(c_double), dimension(3,nr_atoms), target	RXYZ,
		real(c_double), dimension(3,3), target	Box,
		real(c_double), dimension(nr_atoms), target	DELTAQ,
		real(c_double), dimension(nr_elem), target	U,
		integer(c_int), dimension(nr_atoms), target	Element_Pointer,
		integer(c_int), value	Nr_atoms,
		real(c_double), value	COULACC,
		integer(c_int), dimension(4,max_nr_neigh,nr_atoms), target	nebcoul,
		integer(c_int), dimension(nr_atoms), target	totnebcoul,
		integer(c_int), value	HDIM,
		integer(c_int), value	Max_Nr_Neigh,
		integer(c_int), value	Nr_Elem
	)

Definition at line 566 of file prg_c_interface.F90.

ewald_real_space_matrix_latte_c()

subroutine prg_c_interface::ewald_real_space_matrix_latte_c	(	real(c_double), dimension(nr_atoms,nr_atoms), intent(out)	E,
		real(c_double), dimension(3,nr_atoms), target	RXYZ,
		real(c_double), dimension(3,3), target	Box,
		real(c_double), dimension(nr_elem), target	U,
		integer(c_int), dimension(nr_atoms), target	Element_Pointer,
		integer(c_int), value	Nr_atoms,
		real(c_double), value	COULACC,
		integer(c_int), dimension(4,max_nr_neigh,nr_atoms), target	nebcoul,
		integer(c_int), dimension(nr_atoms), target	totnebcoul,
		integer(c_int), value	HDIM,
		integer(c_int), value	Max_Nr_Neigh,
		integer(c_int), value	Nr_Elem
	)

Definition at line 547 of file prg_c_interface.F90.

ewald_real_space_single_c()

subroutine prg_c_interface::ewald_real_space_single_c	(	real(c_double), intent(out)	COULOMBV,
		real(c_double), dimension(3), intent(out)	FCOUL,
		integer(c_int), value	I,
		real(c_double), dimension(nr_atoms), target	RX,
		real(c_double), dimension(nr_atoms), target	RY,
		real(c_double), dimension(nr_atoms), target	RZ,
		real(c_double), dimension(3), target	LBox,
		real(c_double), dimension(nr_atoms), target	DELTAQ,
		integer(c_int), value	J,
		real(c_double), dimension(nr_atoms), target	U,
		character(c_char), dimension(nr_atoms), target	Element_Type,
		integer(c_int), value	Nr_atoms,
		real(c_double), value	COULACC,
		real(c_double), value	TIMERATIO,
		integer(c_int), value	HDIM,
		integer(c_int), value	Max_Nr_Neigh
	)

Definition at line 524 of file prg_c_interface.F90.

ewald_real_space_single_latte_c()

subroutine prg_c_interface::ewald_real_space_single_latte_c	(	real(c_double), intent(out)	COULOMBV,
		integer(c_int), value	I,
		real(c_double), dimension(3,nr_atoms), target	RXYZ,
		real(c_double), dimension(3,3), target	Box,
		integer(c_int), value	Nr_elem,
		real(c_double), dimension(nr_atoms), target	DELTAQ,
		integer(c_int), value	J,
		real(c_double), dimension(nr_elem), target	U,
		integer(c_int), dimension(nr_atoms), target	Element_Pointer,
		integer(c_int), value	Nr_atoms,
		real(c_double), value	COULACC,
		integer(c_int), value	HDIM,
		integer(c_int), value	Max_Nr_Neigh
	)

Definition at line 505 of file prg_c_interface.F90.

ewald_real_space_test_c()

subroutine prg_c_interface::ewald_real_space_test_c	(	real(c_double), intent(out)	COULOMBV,
		integer(c_int), value	I,
		real(c_double), dimension(nr_atoms), target	RX,
		real(c_double), dimension(nr_atoms), target	RY,
		real(c_double), dimension(nr_atoms), target	RZ,
		real(c_double), dimension(3), target	LBox,
		real(c_double), dimension(nr_atoms), target	DELTAQ,
		real(c_double), dimension(nr_atoms), target	U,
		character(c_char), dimension(nr_atoms), target	Element_Type,
		integer(c_int), value	Nr_atoms,
		real(c_double), value	COULACC,
		real(c_double), dimension(nr_atoms,max_nr_neigh), target	nnRx,
		real(c_double), dimension(nr_atoms,max_nr_neigh), target	nnRy,
		real(c_double), dimension(nr_atoms,max_nr_neigh), target	nnRz,
		integer(c_int), dimension(nr_atoms), target	nrnnlist,
		integer(c_int), dimension(nr_atoms,max_nr_neigh), target	nnType,
		integer(c_int), value	Max_Nr_Neigh
	)

Definition at line 587 of file prg_c_interface.F90.

prg_build_atomic_density_c()

subroutine, public prg_c_interface::prg_build_atomic_density_c	(	type(c_ptr), value	rhoat_bml_c,
		real(c_double), dimension(norb), target	numel,
		integer(c_int), dimension(norb, norb), target	hindex,
		integer(c_int), dimension(norb), target	spindex,
		integer(c_int), value	norb,
		character(c_char), value	bml_type
	)

Definition at line 230 of file prg_c_interface.F90.

prg_build_density_cheb_c()

subroutine prg_c_interface::prg_build_density_cheb_c	(	type(c_ptr), value	ham_bml_c,
		type(c_ptr), value	rho_bml_c,
		real(c_double), value	athr,
		real(c_double), value	threshold,
		integer(c_int), value	ncoeffs,
		real(c_double), value	kbt,
		real(c_double), value	ef,
		real(c_double), value	bndfil,
		integer(c_int), value	jon,
		integer(c_int), value	verbose
	)

Definition at line 429 of file prg_c_interface.F90.

prg_build_density_cheb_fermi_c()

subroutine prg_c_interface::prg_build_density_cheb_fermi_c	(	type(c_ptr), value	ham_bml_c,
		type(c_ptr), value	rho_bml_c,
		real(c_double), value	athr,
		real(c_double), value	threshold,
		integer(c_int), value	ncoeffs,
		real(c_double), value	kbt,
		real(c_double), value	ef,
		real(c_double), value	bndfil,
		integer(c_int), value	getef,
		real(c_double), value	fermitol,
		integer(c_int), value	jon,
		integer(c_int), value	npts,
		integer(c_int), value	trkfunc,
		integer(c_int), value	verbose
	)

Definition at line 452 of file prg_c_interface.F90.

prg_build_density_fromevalsandevects_c()

subroutine, public prg_c_interface::prg_build_density_fromevalsandevects_c	(	integer(c_int), value	norbs,
		type(c_ptr), value	evects_bml_c,
		real(c_double), dimension(norbs)	evals,
		type(c_ptr), value	rho_bml_c,
		real(c_double), value	threshold,
		real(c_double), value	bndfil,
		real(c_double), value	kbt,
		real(c_double), value	ef,
		integer(c_int), value	verbose
	)

Definition at line 194 of file prg_c_interface.F90.

prg_build_density_t0_c()

subroutine, public prg_c_interface::prg_build_density_t0_c	(	integer(c_int), value	norbs,
		type(c_ptr), value	ham_bml_c,
		type(c_ptr), value	rho_bml_c,
		real(c_double), intent(in), value	threshold,
		real(c_double), intent(in), value	bndfil,
		real(c_double), dimension(norbs)	eigenvalues_out
	)

Definition at line 55 of file prg_c_interface.F90.

prg_build_density_t_c()

subroutine, public prg_c_interface::prg_build_density_t_c	(	integer(c_int), value	norbs,
		type(c_ptr), value	ham_bml_c,
		type(c_ptr), value	rho_bml_c,
		real(c_double), value	threshold,
		real(c_double), value	bndfil,
		real(c_double), value	kbt,
		real(c_double), value	ef,
		real(c_double), dimension(norbs)	eigenvalues_out
	)

Definition at line 75 of file prg_c_interface.F90.

prg_build_density_t_ed_c()

subroutine, public prg_c_interface::prg_build_density_t_ed_c	(	integer(c_int), value	norbs,
		type(c_ptr), value	ham_bml_c,
		type(c_ptr), value	rho_bml_c,
		type(c_ptr), value	evects_bml_c,
		real(c_double), value	threshold,
		real(c_double), value	bndfil,
		real(c_double), value	kbt,
		real(c_double), value	ef,
		real(c_double), dimension(norbs)	evals_out,
		real(c_double), dimension(norbs)	dvals_out,
		integer(c_int), dimension(norbs, norbs)	hindex_out,
		integer(c_int), value	llsize,
		integer(c_int), value	verbose
	)

Definition at line 127 of file prg_c_interface.F90.

prg_build_density_t_fermi_c()

subroutine, public prg_c_interface::prg_build_density_t_fermi_c	(	type(c_ptr), value	ham_bml_c,
		type(c_ptr), value	rho_bml_c,
		real(c_double), value	threshold,
		real(c_double), value	kbt,
		real(c_double), value	ef,
		integer(c_int), value	verbose,
		real(c_double), intent(inout)	drho
	)

Definition at line 214 of file prg_c_interface.F90.

prg_build_density_t_fulldata_c()

subroutine, public prg_c_interface::prg_build_density_t_fulldata_c	(	integer(c_int), value	norbs,
		type(c_ptr), value	ham_bml_c,
		type(c_ptr), value	rho_bml_c,
		real(c_double), value	threshold,
		real(c_double), value	bndfil,
		real(c_double), value	kbt,
		real(c_double), value	ef,
		real(c_double), dimension(norbs)	eigenvalues_out,
		type(c_ptr), value	evects_bml_c,
		real(c_double), dimension(norbs)	fvals_out
	)

Definition at line 95 of file prg_c_interface.F90.

prg_check_idempotency_c()

subroutine, public prg_c_interface::prg_check_idempotency_c	(	type(c_ptr), value	mat_bml_c,
		real(c_double), value	threshold,
		real(c_double), value	idempotency
	)

Definition at line 282 of file prg_c_interface.F90.

prg_get_charges_c()

subroutine prg_c_interface::prg_get_charges_c	(	integer(c_int), value	nats,
		integer(c_int), value	norbs,
		type(c_ptr), value	rho_bml_c,
		type(c_ptr), value	over_bml_c,
		integer(c_int), dimension(nats,nats)	hindex,
		real(c_double), dimension(:), allocatable	charges,
		real(c_double), dimension(:), allocatable	numel,
		integer(c_int), dimension(nats)	spindex,
		integer(c_int), value	mdimin,
		real(c_double), value	threshold
	)

Definition at line 345 of file prg_c_interface.F90.

prg_get_eigenvalues_c()

subroutine, public prg_c_interface::prg_get_eigenvalues_c	(	integer(c_int)	norbs,
		type(c_ptr), value	ham_bml_c,
		real(c_double), dimension(norbs)	eigenvalues_out,
		integer(c_int), value	verbose
	)

Definition at line 268 of file prg_c_interface.F90.

prg_get_evalsdvalsevects_c()

subroutine, public prg_c_interface::prg_get_evalsdvalsevects_c	(	integer(c_int), value	norbs,
		type(c_ptr), value	ham_bml_c,
		real(c_double), value	threshold,
		integer(c_int), dimension(norbs,norbs)	hindex_in,
		integer(c_int), value	llsize,
		real(c_double), dimension(norbs)	evals_out,
		real(c_double), dimension(norbs)	dvals_out,
		type(c_ptr), value	evects_bml_c,
		integer(c_int), value	verbose
	)

Definition at line 167 of file prg_c_interface.F90.

prg_get_flevel_c()

subroutine, public prg_c_interface::prg_get_flevel_c	(	integer(c_int)	norbs,
		real(c_double), dimension(norbs), target	eigenvalues,
		real(c_double), value	kbt,
		real(c_double), value	bndfil,
		real(c_double), value	tol,
		real(c_double), value	Ef
	)

Definition at line 243 of file prg_c_interface.F90.

prg_get_flevel_nt_c()

subroutine, public prg_c_interface::prg_get_flevel_nt_c	(	integer(c_int)	norbs,
		real(c_double), dimension(norbs), target	eigenvalues,
		real(c_double), value	kbt,
		real(c_double), value	bndfil,
		real(c_double), value	tol,
		real(c_double), value	ef,
		integer(c_int), optional	verbose
	)

Definition at line 255 of file prg_c_interface.F90.

prg_get_hscf_c()

subroutine prg_c_interface::prg_get_hscf_c	(	integer(c_int), value	nats,
		type(c_ptr), value	ham0_bml_c,
		type(c_ptr), value	over_bml_c,
		type(c_ptr), value	ham_bml_c,
		integer(c_int), dimension(nats), target	spindex,
		integer(c_int), dimension(nats, nats), target	hindex,
		real(c_double), dimension(nats), target	hubbardu,
		real(c_double), dimension(nats), target	charges,
		real(c_double), dimension(nats), target	coulomb_pot_r,
		real(c_double), dimension(nats), target	coulomb_pot_k,
		integer(c_int), value	mdimin,
		real(c_double), value	threshold
	)

Definition at line 372 of file prg_c_interface.F90.

prg_get_hscf_v2_c()

subroutine prg_c_interface::prg_get_hscf_v2_c	(	integer(c_int), value	nats,
		type(c_ptr), value	ham0_bml_c,
		type(c_ptr), value	over_bml_c,
		type(c_ptr), value	ham_bml_c,
		integer(c_int), dimension(nats)	spindex,
		integer(c_int), dimension(nats, nats)	hindex,
		real(c_double), dimension(nats)	hubbardu,
		real(c_double), dimension(nats)	charges,
		real(c_double), dimension(nats)	coulomb_pot_r,
		real(c_double), dimension(nats)	coulomb_pot_k,
		integer(c_int), value	mdimin,
		real(c_double), value	threshold
	)

Definition at line 396 of file prg_c_interface.F90.

prg_normalize_c()

subroutine prg_c_interface::prg_normalize_c

(

type(c_ptr), value

h_bml_c

)

Definition at line 642 of file prg_c_interface.F90.

prg_normalize_cheb_c()

subroutine prg_c_interface::prg_normalize_cheb_c	(	type(c_ptr), value	h_bml_c,
		real(c_double), value	mu,
		real(c_double), value	emin,
		real(c_double), value	emax,
		real(c_double), value	alpha,
		real(c_double), value	scaledmu
	)

Definition at line 669 of file prg_c_interface.F90.

prg_normalize_fermi_c()

subroutine prg_c_interface::prg_normalize_fermi_c	(	type(c_ptr), value	h_bml_c,
		real(c_double), value	h1,
		real(c_double), value	hN,
		real(c_double), value	mu
	)

Definition at line 649 of file prg_c_interface.F90.

prg_normalize_implicit_fermi_c()

subroutine prg_c_interface::prg_normalize_implicit_fermi_c	(	type(c_ptr), value	h_bml_c,
		real(c_double), value	cnst,
		real(c_double), value	mu
	)

Definition at line 659 of file prg_c_interface.F90.

prg_open_file_c()

subroutine prg_c_interface::prg_open_file_c	(	integer(c_int), value	io,
		character(c_char), value	name
	)

Definition at line 1012 of file prg_c_interface.F90.

prg_open_file_to_read_c()

subroutine prg_c_interface::prg_open_file_to_read_c	(	integer(c_int), value	io,
		character(c_char), value	name
	)

Definition at line 1018 of file prg_c_interface.F90.

prg_prg_sp2_alg1_seq_inplace_c()

subroutine prg_c_interface::prg_prg_sp2_alg1_seq_inplace_c	(	type(c_ptr), value	rho_bml_c,
		real(c_double), value	threshold,
		integer(c_int), dimension(:), target	pp,
		integer(c_int), value	icount,
		real(c_double), dimension(:), target	vv,
		real(c_double), value	mineval,
		real(c_double), value	maxeval
	)

Definition at line 923 of file prg_c_interface.F90.

prg_prg_sp2_alg2_seq_inplace_c()

subroutine prg_c_interface::prg_prg_sp2_alg2_seq_inplace_c	(	type(c_ptr), value	rho_bml_c,
		real(c_double), value	threshold,
		integer(c_int), dimension(:), target	pp,
		integer(c_int), value	icount,
		real(c_double), dimension(:), target	vv,
		real(c_double)	mineval,
		real(c_double)	maxeval,
		integer(c_int)	verbose
	)

Definition at line 873 of file prg_c_interface.F90.

prg_print_date_and_time_c()

subroutine prg_c_interface::prg_print_date_and_time_c

(

character(c_char), value

tag

)

Definition at line 1001 of file prg_c_interface.F90.

prg_progress_init_c()

subroutine, public prg_c_interface::prg_progress_init_c

Definition at line 42 of file prg_c_interface.F90.

prg_progress_shutdown_c()

subroutine, public prg_c_interface::prg_progress_shutdown_c

Definition at line 46 of file prg_c_interface.F90.

prg_sp2_alg1_c()

subroutine prg_c_interface::prg_sp2_alg1_c	(	type(c_ptr), value	h_bml_c,
		type(c_ptr), value	rho_bml_c,
		real(c_double), value	threshold,
		real(c_double), value	bndfil,
		integer(c_int), value	minsp2iter,
		integer(c_int), value	maxsp2iter,
		character(c_char), value	sp2conv,
		real(c_double), value	idemtol,
		integer(c_int), value	verbose
	)

Definition at line 888 of file prg_c_interface.F90.

prg_sp2_alg1_seq_c()

subroutine prg_c_interface::prg_sp2_alg1_seq_c	(	type(c_ptr), value	h_bml_c,
		type(c_ptr), value	rho_bml_c,
		real(c_double), value	threshold,
		integer(c_int), dimension(:), target	pp,
		integer(c_int), value	icount,
		real(c_double), dimension(:), target	vv
	)

Definition at line 908 of file prg_c_interface.F90.

prg_sp2_alg2_c()

subroutine prg_c_interface::prg_sp2_alg2_c	(	type(c_ptr), value	h_bml_c,
		type(c_ptr), value	rho_bml_c,
		real(c_double), value	threshold,
		real(c_double), value	bndfil,
		integer(c_int), value	minsp2iter,
		integer(c_int), value	maxsp2iter,
		character(c_char), value	sp2conv,
		real(c_double), value	idemtol,
		integer(c_int), value	verbose
	)

Definition at line 817 of file prg_c_interface.F90.

prg_sp2_alg2_genseq_c()

subroutine prg_c_interface::prg_sp2_alg2_genseq_c	(	type(c_ptr), value	h_bml_c,
		type(c_ptr), value	rho_bml_c,
		real(c_double), value	threshold,
		real(c_double), value	bndfil,
		integer(c_int), value	minsp2iter,
		integer(c_int), value	maxsp2iter,
		character(c_char), value	sp2conv,
		real(c_double), value	idemtol,
		integer(c_int), dimension(:), target	pp,
		integer(c_int), value	icount,
		real(c_double), dimension(:), target	vv,
		integer(c_int)	verbose
	)

Definition at line 835 of file prg_c_interface.F90.

prg_sp2_alg2_seq_c()

subroutine prg_c_interface::prg_sp2_alg2_seq_c	(	type(c_ptr), value	h_bml_c,
		type(c_ptr), value	rho_bml_c,
		real(c_double), value	threshold,
		integer(c_int), dimension(:), target	pp,
		integer(c_int), value	icount,
		real(c_double), dimension(:), target	vv,
		integer(c_int)	verbose
	)

Definition at line 857 of file prg_c_interface.F90.

prg_sp2_basic_c()

subroutine prg_c_interface::prg_sp2_basic_c	(	type(c_ptr), value	h_bml_c,
		type(c_ptr), value	rho_bml_c,
		real(c_double), value	threshold,
		real(c_double), value	bndfil,
		integer(c_int), value	minsp2iter,
		integer(c_int), value	maxsp2iter,
		character(c_char), value	sp2conv,
		real(c_double), value	idemtol,
		integer(c_int), value	verbose
	)

Definition at line 777 of file prg_c_interface.F90.

prg_sp2_basic_tcore_c()

subroutine prg_c_interface::prg_sp2_basic_tcore_c	(	type(c_ptr), value	h_bml_c,
		type(c_ptr), value	rho_bml_c,
		type(c_ptr), value	rhofull_bml_c,
		real(c_double), value	threshold,
		real(c_double), value	bndfil,
		integer(c_int), value	minsp2iter,
		integer(c_int), value	maxsp2iter,
		character(c_char), value	sp2conv,
		real(c_double), value	idemtol,
		integer(c_int), value	verbose
	)

Definition at line 795 of file prg_c_interface.F90.

prg_sp2_entropy_function_c()

subroutine prg_c_interface::prg_sp2_entropy_function_c	(	real(c_double), value	mu,
		real(c_double), value	h1,
		real(c_double), value	hN,
		integer(c_int), value	nsteps,
		integer(c_int), dimension(nsteps), target	sgnlist,
		real(c_double), dimension(1001)	GG,
		real(c_double), dimension(1001)	ee
	)

Definition at line 757 of file prg_c_interface.F90.

prg_sp2_fermi_c()

subroutine prg_c_interface::prg_sp2_fermi_c	(	type(c_ptr), value	h_bml_c,
		integer(c_int), value	osteps,
		integer(c_int), value	nsteps,
		real(c_double), value	nocc,
		real(c_double), value	mu,
		real(c_double), value	beta,
		real(c_double), value	h1,
		real(c_double), value	hN,
		integer(c_int), dimension(nsteps), target	sgnlist,
		real(c_double), value	threshold,
		real(c_double), value	eps,
		real(c_double), value	traceLimit,
		type(c_ptr), value	x_bml_c
	)

Definition at line 734 of file prg_c_interface.F90.

prg_sp2_fermi_init_c()

subroutine prg_c_interface::prg_sp2_fermi_init_c	(	type(c_ptr), value	h_bml_c,
		integer(c_int), value	nsteps,
		real(c_double), value	nocc,
		real(c_double), value	tscale,
		real(c_double), value	threshold,
		real(c_double), value	occErrLimit,
		real(c_double), value	traceLimit,
		type(c_ptr), value	x_bml_c,
		real(c_double), value	mu,
		real(c_double), value	beta,
		real(c_double), value	h1,
		real(c_double), value	hN,
		integer(c_int), dimension(nsteps), target	sgnlist
	)

Definition at line 686 of file prg_c_interface.F90.

prg_sp2_fermi_init_norecs_c()

subroutine prg_c_interface::prg_sp2_fermi_init_norecs_c	(	type(c_ptr), value	h_bml_c,
		integer(c_int), value	nsteps,
		real(c_double), value	nocc,
		real(c_double), value	tscale,
		real(c_double), value	threshold,
		real(c_double), value	occErrLimit,
		real(c_double), value	traceLimit,
		type(c_ptr), value	x_bml_c,
		real(c_double), value	mu,
		real(c_double), value	beta,
		real(c_double), value	h1,
		real(c_double), value	hN,
		integer(c_int), dimension(nsteps), target	sgnlist,
		integer(c_int), optional	verbose
	)

Definition at line 709 of file prg_c_interface.F90.

prg_sp2_submatrix_c()

subroutine prg_c_interface::prg_sp2_submatrix_c	(	type(c_ptr), value	ham_bml_c,
		type(c_ptr), value	rho_bml_c,
		real(c_double), value	threshold,
		integer(c_int), dimension(:), target	pp,
		integer(c_int), value	icount,
		real(c_double), dimension(:), target	vv,
		real(c_double), value	mineval,
		real(c_double), value	maxeval,
		integer(c_int), value	core_size
	)

Definition at line 937 of file prg_c_interface.F90.

prg_sp2_submatrix_inplace_c()

subroutine prg_c_interface::prg_sp2_submatrix_inplace_c	(	type(c_ptr), value	rho_bml_c,
		real(c_double), value	threshold,
		integer(c_int), dimension(:), target	pp,
		integer(c_int), value	icount,
		real(c_double), dimension(:), target	vv,
		real(c_double), value	mineval,
		real(c_double), value	maxeval,
		integer(c_int), value	core_size
	)

Definition at line 955 of file prg_c_interface.F90.

prg_timer_collect_c()

subroutine prg_c_interface::prg_timer_collect_c

Definition at line 993 of file prg_c_interface.F90.

prg_timer_results_c()

subroutine prg_c_interface::prg_timer_results_c

Definition at line 997 of file prg_c_interface.F90.

prg_timer_shutdown_c()

subroutine prg_c_interface::prg_timer_shutdown_c

Definition at line 978 of file prg_c_interface.F90.

prg_timer_start_c()

subroutine prg_c_interface::prg_timer_start_c	(	integer(c_int)	itimer,
		character(c_char), value	tag
	)

Definition at line 982 of file prg_c_interface.F90.

prg_timer_stop_c()

subroutine prg_c_interface::prg_timer_stop_c	(	integer(c_int)	itimer,
		integer(c_int)	verbose
	)

Definition at line 988 of file prg_c_interface.F90.

prg_tocanonicalspace_c()

subroutine, public prg_c_interface::prg_tocanonicalspace_c	(	type(c_ptr), value	mat_bml_c,
		type(c_ptr), value	matCan_bml_c,
		type(c_ptr), value	evects_bml_c,
		real(c_double), value	threshold,
		integer(c_int), optional	verbose
	)

Definition at line 310 of file prg_c_interface.F90.

prg_toeigenspace_c()

subroutine, public prg_c_interface::prg_toeigenspace_c	(	type(c_ptr), value	mat_bml_c,
		type(c_ptr), value	matEig_bml_c,
		type(c_ptr), value	evects_bml_c,
		real(c_double), value	threshold,
		integer(c_int), optional	verbose
	)

Definition at line 294 of file prg_c_interface.F90.

prg_version_c()

subroutine, public prg_c_interface::prg_version_c

Definition at line 38 of file prg_c_interface.F90.

prg_write_tdos_c()

subroutine prg_c_interface::prg_write_tdos_c	(	integer(c_int), value	nstates,
		real(c_double), dimension(nstates), target	eigenvals,
		real(c_double), value	gamma,
		integer(c_int), value	npts,
		real(c_double), value	emin,
		real(c_double), value	emax,
		character(c_char), value	filename
	)

Definition at line 489 of file prg_c_interface.F90.

timer_prg_init_c()

subroutine prg_c_interface::timer_prg_init_c

Definition at line 974 of file prg_c_interface.F90.