Type | Intent | Optional | Attributes | Name | ||
---|---|---|---|---|---|---|
character(len=*), | intent(in) | :: | method |
Name of the method to look up |
function get_method_id(method) result(id) !> Name of the method to look up character(len=*), intent(in) :: method character(len=len(method)) :: lc_method integer :: id integer :: i, j j = 0 do i = 1, len(method) if (method(i:i) /= "-") then j = j + 1 lc_method(j:j) = method(i:i) end if end do select case(trim(lowercase(lc_method))) case default; id = p_invalid case("b1b95", "b88b95"); id = p_b1b95_df case("b1lyp"); id = p_b1lyp_df case("b1p", "b1p86"); id = p_b1p_df case("b2gpplyp"); id = p_b2gpplyp_df case("b2plyp"); id = p_b2plyp_df case("b3lyp", "b3lyp5"); id = p_b3lyp_df case("b3lypg", "b3lyp3"); id = p_b3lyp_g_df case("b3lyp/631gd"); id = p_b3lyp_631gd_df case("b3p", "b3p86"); id = p_b3p_df case("b3pw91"); id = p_b3pw91_df case("b971"); id = p_b97_1_df case("b972"); id = p_b97_2_df case("b97d"); id = p_b97d_df case("b973c"); id = p_b973c_df case("b97m"); id = p_b97m_df case("b98"); id = p_b98_df case("bhlyp", "bhandhlyp"); id = p_bhlyp_df case("blyp"); id = p_blyp_df case("bmk"); id = p_bmk_df case("bop"); id = p_bop_df case("bp", "bp86"); id = p_bp_df case("bpbe"); id = p_bpbe_df case("camb3lyp"); id = p_camb3lyp_df case("dftb3"); id = p_dftb3_df case("dm21"); id = p_dm21_df case("dm21m"); id = p_dm21m_df case("dm21mc"); id = p_dm21mc_df case("dm21mu"); id = p_dm21mu_df case("drpa75"); id = p_drpa75_df case("dsdsvwn5"); id = p_dsd_svwn5_df case("dsdsp86"); id = p_dsd_sp86_df case("dsdslyp"); id = p_dsd_slyp_df case("dsdspbe"); id = p_dsd_spbe_df case("dsdbvwn5"); id = p_dsd_bvwn5_df case("dsdblyp"); id = p_dsdblyp_df case("dsdblyp_2013"); id = p_dsd_blyp_2013_df case("dsdblypfc"); id = p_dsdblypfc_df case("dsdbpbe"); id = p_dsd_bpbe_df case("dsdbp86"); id = p_dsd_bp86_df case("dsdbpw91"); id = p_dsd_bpw91_df case("dsdbb95"); id = p_dsd_bb95_df case("dsdpbevwn5"); id = p_dsd_pbevwn5_df case("dsdpbelyp"); id = p_dsd_pbelyp_df case("dsdpbe", "dsdpbepbe"); id = p_dsdpbe_df case("dsdpbedrpa75"); id = p_dsd_pbe_drpa75_df case("dsdpbep86"); id = p_dsdpbep86_df case("dsdpbep86_2011"); id = p_dsdpbep86_2011_df case("dsdpbep86drpa75"); id = p_dsd_pbep86_drpa75_df case("dsdpbepw91"); id = p_dsd_pbepw91_df case("dsdpbeb95"); id = p_dsdpbeb95_df case("dsdpbehb95"); id = p_dsd_pbehb95_df case("dsdpbehp86"); id = p_dsd_pbehp86_df case("dsdmpwlyp"); id = p_dsd_mpwlyp_df case("dsdmpwpw91"); id = p_dsd_mpwpw91_df case("dsdmpwp86"); id = p_dsd_mpwp86_df case("dsdmpwpbe"); id = p_dsd_mpwpbe_df case("dsdmpwb95"); id = p_dsd_mpwb95_df case("dsdhsepbe"); id = p_dsd_hsepbe_df case("dsdhsepw91"); id = p_dsd_hsepw91_df case("dsdhsep86"); id = p_dsd_hsep86_df case("dsdhselyp"); id = p_dsd_hselyp_df case("dsdtpss", "dsdtpsstpss"); id = p_dsd_tpss_df case("dsdtpssb95"); id = p_dsd_tpssb95_df case("dsdolyp"); id = p_dsd_olyp_df case("dsdxlyp"); id = p_dsd_xlyp_df case("dsdxb95"); id = p_dsd_xb95_df case("dsdb98"); id = p_dsd_b98_df case("dsdbmk"); id = p_dsd_bmk_df case("dsdthcth"); id = p_dsd_thcth_df case("dsdhcth407"); id = p_dsd_hcth407_df case("dodsvwn5"); id = p_dod_svwn5_df case("dodblyp"); id = p_dod_blyp_df case("dodpbe", "dodpbepbe"); id = p_dod_pbe_df case("dodpbep86"); id = p_dod_pbep86_df case("dodpbeb95"); id = p_dod_pbeb95_df case("dodhsep86"); id = p_dod_hsep86_df case("dodpbehb95"); id = p_dod_pbehb95_df case("dodscan66"); id = p_dodscan66_df case("hcth120"); id = p_hcth120_df case("hcth407", "hcth/407"); id = p_hcth407_df case("hf"); id = p_hf_df case("hf/minis"); id = p_hf_minis_df case("hf/mixed"); id = p_hf_mixed_df case("hf/sv"); id = p_hf_sv_df case("hf3c"); id = p_hf3c_df case("hf3cv"); id = p_hf3cv_df case("hiss"); id = p_hiss_df case("hse03"); id = p_hse03_df case("hse06"); id = p_hse06_df case("hsesol"); id = p_hsesol_df case("lcwhpbe", "lcomegahpbe", "lcωhpbe"); id = p_lc_whpbe_df case("lcwpbe"); id = p_lcwpbe_df case("m05"); id = p_m05_df case("m052x"); id = p_m052x_df case("m06"); id = p_m06_df case("m062x"); id = p_m062x_df case("m06hf"); id = p_m06hf_df case("m06l"); id = p_m06l_df case("m08hx"); id = p_m08hx_df case("m11"); id = p_m11_df case("m11l"); id = p_m11l_df case("mn12l"); id = p_mn12l_df case("mn12sx"); id = p_mn12sx_df case("mn15"); id = p_mn15_df case("mn15l"); id = p_mn15l_df case("mpw1b95"); id = p_mpw1b95_df case("mpw1kcis"); id = p_mpw1kcis_df case("mpw1pw", "mpw1pw91"); id = p_mpw1pw_df case("mpw2plyp"); id = p_mpw2plyp_df case("mpwb1k"); id = p_mpwb1k_df case("mpwlyp"); id = p_mpwlyp_df case("mpwpw", "mpwpw91"); id = p_mpwpw_df case("mpw1lyp"); id = p_mpw1lyp_df case("mpwkcis1k"); id = p_mpwkcis1k_df case("ms2"); id = p_ms2_df case("ms2h"); id = p_ms2h_df case("n12"); id = p_n12_df case("n12sx"); id = p_n12sx_df case("o3lyp"); id = p_o3lyp_df case("olyp"); id = p_olyp_df case("opbe"); id = p_opbe_df case("optscsdrpa75"); id = p_optscs_drpa75_df case("otpss"); id = p_otpss_df case("pbe"); id = p_pbe_df case("pbe0", "pbeh"); id = p_pbe0_df case("pbe1kcis"); id = p_pbe1kcis_df case("pbe38"); id = p_pbe38_df case("pbeh1pbe"); id = p_pbeh1pbe_df case("pbeh3c"); id = p_pbeh3c_df case("pbehpbe"); id = p_pbehpbe_df case("pbesol"); id = p_pbesol_df case("pkzb"); id = p_pkzb_df case("ptpss"); id = p_ptpss_df case("pwp", "pw91p86"); id = p_pwp_df case("pw1pw"); id = p_pw1pw_df case("pw6b95"); id = p_pw6b95_df case("pw91"); id = p_pw91_df case("pwb6k"); id = p_pwb6k_df case("pwgga"); id = p_pwgga_df case("pwpb95"); id = p_pwpb95_df case("r2scan"); id = p_r2scan_df case("r2scanh"); id = p_r2scanh_df case("r2scan0"); id = p_r2scan0_df case("r2scan50"); id = p_r2scan50_df case("revdodblyp"); id = p_revdodblyp_df case("revdodpbe"); id = p_revdodpbe_df case("revdodpbep86"); id = p_revdodpbep86_df case("revdodpbeb95"); id = p_revdodpbeb95_df case("revdsdblyp"); id = p_revdsdblyp_df case("revdsdpbe"); id = p_revdsdpbe_df case("revdsdpbep86"); id = p_revdsdpbep86_df case("revdsdpbeb95"); id = p_revdsdpbeb95_df case("revpbe"); id = p_revpbe_df case("revpbe0"); id = p_revpbe0_df case("revpbe38"); id = p_revpbe38_df case("revssb"); id = p_revssb_df case("revtpss"); id = p_revtpss_df case("revtpss0"); id = p_revtpss0_df case("revtpssh"); id = p_revtpssh_df case("rpbe"); id = p_rpbe_df case("rpw86pbe"); id = p_rpw86pbe_df case("rscan"); id = p_rscan_df case("scan"); id = p_scan_df case("scsdrpa75"); id = p_scs_drpa75_df case("slaterdiracexchange"); id = p_slaterdiracexchange_df case("sogga11x"); id = p_sogga11x_df case("ssb"); id = p_ssb_df case("tauhcth", "τhcth"); id = p_tauhcth_df case("tauhcthhyb", "τhcthhyb"); id = p_tauhcthhyb_df case("tpss"); id = p_tpss_df case("tpss0"); id = p_tpss0_df case("tpss1kcis"); id = p_tpss1kcis_df case("tpssh"); id = p_tpssh_df case("wb97m"); id = p_wb97m_df case("wb97x"); id = p_wb97x_df case("x3lyp"); id = p_x3lyp_df case("xlyp"); id = p_xlyp_df end select end function get_method_id