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| character(len=size(c_str)) function | prg_c_interface::string_c2f (c_str) |
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| subroutine, public | prg_c_interface::prg_version_c () |
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| subroutine, public | prg_c_interface::prg_progress_init_c () |
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| subroutine, public | prg_c_interface::prg_progress_shutdown_c () |
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| subroutine, public | prg_c_interface::prg_build_density_t0_c (norbs, ham_bml_c, rho_bml_c, threshold, bndfil, eigenvalues_out) |
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| subroutine, public | prg_c_interface::prg_build_density_t_c (norbs, ham_bml_c, rho_bml_c, threshold, bndfil, kbt, ef, eigenvalues_out) |
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| subroutine, public | prg_c_interface::prg_build_density_t_fulldata_c (norbs, ham_bml_c, rho_bml_c, threshold, bndfil, kbt, ef, eigenvalues_out, evects_bml_c, fvals_out) |
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| subroutine, public | prg_c_interface::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) |
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| subroutine, public | prg_c_interface::prg_get_evalsdvalsevects_c (norbs, ham_bml_c, threshold, hindex_in, llsize, evals_out, dvals_out, evects_bml_c, verbose) |
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| subroutine, public | prg_c_interface::prg_build_density_fromevalsandevects_c (norbs, evects_bml_c, evals, rho_bml_c, threshold, bndfil, kbt, ef, verbose) |
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| subroutine, public | prg_c_interface::prg_build_density_t_fermi_c (ham_bml_c, rho_bml_c, threshold, kbt, ef, verbose, drho) |
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| subroutine, public | prg_c_interface::prg_build_atomic_density_c (rhoat_bml_c, numel, hindex, spindex, norb, bml_type) |
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| subroutine, public | prg_c_interface::prg_get_flevel_c (norbs, eigenvalues, kbt, bndfil, tol, Ef) |
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| subroutine, public | prg_c_interface::prg_get_flevel_nt_c (norbs, eigenvalues, kbt, bndfil, tol, ef, verbose) |
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| subroutine, public | prg_c_interface::prg_get_eigenvalues_c (norbs, ham_bml_c, eigenvalues_out, verbose) |
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| subroutine, public | prg_c_interface::prg_check_idempotency_c (mat_bml_c, threshold, idempotency) |
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| subroutine, public | prg_c_interface::prg_toeigenspace_c (mat_bml_c, matEig_bml_c, evects_bml_c, threshold, verbose) |
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| subroutine, public | prg_c_interface::prg_tocanonicalspace_c (mat_bml_c, matCan_bml_c, evects_bml_c, threshold, verbose) |
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| subroutine, public | prg_c_interface::canon_dm_prt_c (P1, H1, Nocc, T, Q, e, mu0, m, HDIM) |
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| subroutine | prg_c_interface::prg_get_charges_c (nats, norbs, rho_bml_c, over_bml_c, hindex, charges, numel, spindex, mdimin, threshold) |
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| subroutine | prg_c_interface::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) |
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| subroutine | prg_c_interface::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) |
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| subroutine | prg_c_interface::prg_implicit_fermi_save_inverse_c (Inv_bml_c, h_bml_c, p_bml_c, nsteps, nocc, mu, beta, occErrLimit, threshold, tol, SCF_IT, occiter, totns) |
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| subroutine | prg_c_interface::prg_implicit_fermi_c (h_bml_c, p_bml_c, nsteps, k, nocc, mu, beta, method, osteps, occErrLimit, threshold, tol) |
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| subroutine | prg_c_interface::prg_implicit_fermi_zero_c (h_bml_c, p_bml_c, nsteps, mu, method, threshold, tol) |
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| subroutine | prg_c_interface::prg_implicit_fermi_first_order_response_c (H0_bml_c, H1_bml_c, P0_bml_c, P1_bml_c, Inv_bml_c, nsteps, mu0, beta, nocc, threshold) |
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| subroutine | prg_c_interface::prg_test_density_matrix_c (ham_bml_c, p_bml_c, beta, mu, nocc, osteps, occErrLimit, threshold) |
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| subroutine | prg_c_interface::prg_build_density_cheb_c (ham_bml_c, rho_bml_c, athr, threshold, ncoeffs, kbt, ef, bndfil, jon, verbose) |
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| subroutine | prg_c_interface::prg_build_density_cheb_fermi_c (ham_bml_c, rho_bml_c, athr, threshold, ncoeffs, kbt, ef, bndfil, getef, fermitol, jon, npts, trkfunc, verbose) |
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| subroutine | prg_c_interface::prg_write_tdos_c (nstates, eigenvals, gamma, npts, emin, emax, filename) |
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| subroutine | prg_c_interface::ewald_real_space_single_latte_c (COULOMBV, I, RXYZ, Box, Nr_elem, DELTAQ, J, U, Element_Pointer, Nr_atoms, COULACC, HDIM, Max_Nr_Neigh) |
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| subroutine | prg_c_interface::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) |
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| subroutine | prg_c_interface::ewald_real_space_matrix_latte_c (E, RXYZ, Box, U, Element_Pointer, Nr_atoms, COULACC, nebcoul, totnebcoul, HDIM, Max_Nr_Neigh, Nr_Elem) |
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| subroutine | prg_c_interface::ewald_real_space_latte_c (COULOMBV, I, RXYZ, Box, DELTAQ, U, Element_Pointer, Nr_atoms, COULACC, nebcoul, totnebcoul, HDIM, Max_Nr_Neigh, Nr_Elem) |
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| subroutine | prg_c_interface::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) |
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| subroutine | prg_c_interface::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) |
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| subroutine | prg_c_interface::prg_init_zspmat_c (igenz, zk1_bml_c, zk2_bml_c, zk3_bml_c, zk4_bml_c, zk5_bml_c, zk6_bml_c, norb, bml_type, bml_element_type) |
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| subroutine | prg_c_interface::prg_genz_sp_initialz0_c (smat_bml_c, zmat_bml_c, norb, mdim, bml_type_f, threshold) |
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| subroutine | prg_c_interface::prg_genz_sp_initial_zmat_c (smat_bml_c, zmat_bml_c, norb, mdim, bml_type_f, threshold) |
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| subroutine | prg_c_interface::prg_genz_sp_ref_c (smat_bml_c, zmat_bml_c, nref, norb, bml_type, threshold) |
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| subroutine | prg_c_interface::prg_normalize_c (h_bml_c) |
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| subroutine | prg_c_interface::prg_normalize_fermi_c (h_bml_c, h1, hN, mu) |
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| subroutine | prg_c_interface::prg_normalize_implicit_fermi_c (h_bml_c, cnst, mu) |
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| subroutine | prg_c_interface::prg_normalize_cheb_c (h_bml_c, mu, emin, emax, alpha, scaledmu) |
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| subroutine | prg_c_interface::prg_get_nameandext_c (fullfilename, filename, ext) |
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| subroutine | prg_c_interface::prg_sp2_fermi_init_c (h_bml_c, nsteps, nocc, tscale, threshold, occErrLimit, traceLimit, x_bml_c, mu, beta, h1, hN, sgnlist, verbose) |
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| subroutine | prg_c_interface::prg_sp2_fermi_init_norecs_c (h_bml_c, nsteps, nocc, tscale, threshold, occErrLimit, traceLimit, x_bml_c, mu, beta, h1, hN, sgnlist, verbose) |
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| subroutine | prg_c_interface::prg_sp2_fermi_c (h_bml_c, osteps, nsteps, nocc, mu, beta, h1, hN, sgnlist, threshold, eps, traceLimit, x_bml_c) |
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| subroutine | prg_c_interface::prg_sp2_entropy_function_c (mu, h1, hN, nsteps, sgnlist, GG, ee) |
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| subroutine | prg_c_interface::prg_pulaycomponent0_c (rho_bml_c, ham_bml_c, pcm_bml_c, threshold, M, verbose) |
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| subroutine | prg_c_interface::prg_pulaycomponentt_c (rho_bml_c, ham_bml_c, zmat_bml_c, pcm_bml_c, threshold, M, bml_type, verbose) |
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| subroutine | prg_c_interface::prg_get_pulayforce_c (nats, zmat_bml_c, ham_bml_c, rho_bml_c, dSx_bml_c, dSy_bml_c, dSz_bml_c, hindex_out, fpul_out, threshold) |
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| subroutine | prg_c_interface::prg_sp2_basic_c (h_bml_c, rho_bml_c, threshold, bndfil, minsp2iter, maxsp2iter, sp2conv, idemtol, verbose) |
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| subroutine | prg_c_interface::prg_sp2_basic_tcore_c (h_bml_c, rho_bml_c, rhofull_bml_c, threshold, bndfil, minsp2iter, maxsp2iter, sp2conv, idemtol, verbose) |
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| subroutine | prg_c_interface::prg_sp2_alg2_c (h_bml_c, rho_bml_c, threshold, bndfil, minsp2iter, maxsp2iter, sp2conv, idemtol, verbose) |
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| subroutine | prg_c_interface::prg_sp2_alg2_genseq_c (h_bml_c, rho_bml_c, threshold, bndfil, minsp2iter, maxsp2iter, sp2conv, idemtol, pp, icount, vv, verbose) |
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| subroutine | prg_c_interface::prg_sp2_alg2_seq_c (h_bml_c, rho_bml_c, threshold, pp, icount, vv, verbose) |
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| subroutine | prg_c_interface::prg_prg_sp2_alg2_seq_inplace_c (rho_bml_c, threshold, ppsize, pp, icount, vv, mineval, maxeval) |
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| subroutine | prg_c_interface::prg_sp2_alg1_c (h_bml_c, rho_bml_c, threshold, bndfil, minsp2iter, maxsp2iter, sp2conv, idemtol, verbose) |
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| subroutine | prg_c_interface::prg_sp2_alg1_genseq_c (h_bml_c, rho_bml_c, threshold, bndfil, minsp2iter, maxsp2iter, sp2conv, idemtol, pp, icount, vv) |
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| subroutine | prg_c_interface::prg_sp2_alg1_seq_c (h_bml_c, rho_bml_c, threshold, pp, icount, vv) |
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| subroutine | prg_c_interface::prg_prg_sp2_alg1_seq_inplace_c (rho_bml_c, threshold, ppsize, pp, icount, vv, mineval, maxeval) |
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| subroutine | prg_c_interface::prg_sp2_submatrix_c (ham_bml_c, rho_bml_c, threshold, pp, icount, vv, mineval, maxeval, core_size) |
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| subroutine | prg_c_interface::prg_sp2_submatrix_inplace_c (rho_bml_c, threshold, pp, icount, vv, mineval, maxeval, core_size) |
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| subroutine | prg_c_interface::timer_prg_init_c () |
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| subroutine | prg_c_interface::prg_timer_shutdown_c () |
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| subroutine | prg_c_interface::prg_timer_start_c (itimer, tag) |
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| subroutine | prg_c_interface::prg_timer_stop_c (itimer, verbose) |
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| subroutine | prg_c_interface::prg_timer_collect_c () |
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| subroutine | prg_c_interface::prg_timer_results_c () |
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| subroutine | prg_c_interface::prg_print_date_and_time_c (tag) |
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| subroutine | prg_c_interface::prg_open_file_c (io, name) |
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| subroutine | prg_c_interface::prg_open_file_to_read_c (io, name) |
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| subroutine | prg_c_interface::prg_initparallel_c () |
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| subroutine | prg_c_interface::prg_shutdownparallel_c () |
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| subroutine | prg_c_interface::prg_barrierparallel_c () |
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| subroutine | prg_c_interface::sendreceiveparallel_c (sendBuf, sendLen, dest, recvBuf, recvLen, source, nreceived) |
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| subroutine | prg_c_interface::isendparallel_c (sendBuf, sendLen, dest) |
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| subroutine | prg_c_interface::sendparallel_c (sendBuf, sendLen, dest) |
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| subroutine | prg_c_interface::prg_iprg_recvparallel_c (recvBuf, recvLen, rind) |
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| subroutine | prg_c_interface::prg_recvparallel_c (recvBuf, recvLen) |
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| subroutine | prg_c_interface::sumintparallel_c (sendBuf, recvBuf, icount) |
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| subroutine | prg_c_interface::sumrealparallel_c (sendBuf, recvBuf, icount) |
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| subroutine | prg_c_interface::maxintparallel_c (sendBuf, recvBuf, icount) |
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| subroutine | prg_c_interface::maxrealparallel_c (sendBuf, recvBuf, icount) |
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| subroutine | prg_c_interface::minintparallel_c (sendBuf, recvBuf, icount) |
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| subroutine | prg_c_interface::minrealparallel_c (sendBuf, recvBuf, icount) |
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| subroutine | prg_c_interface::prg_minrealreduce_c (rvalue) |
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| subroutine | prg_c_interface::prg_maxrealreduce_c (rvalue) |
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| subroutine | prg_c_interface::prg_maxintreduce2_c (value1, value2) |
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| subroutine | prg_c_interface::prg_sumintreduce2_c (value1, value2) |
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1.9.1