/dports/science/libxc/libxc-5.0.0/src/ |
H A D | hyb_gga_xc_b1wc.c | 26 static int funcs_id [2] = {XC_GGA_X_WC, XC_GGA_C_PBE}; in xc_hyb_gga_xc_b1wc_init() local 53 static int funcs_id [2] = {XC_GGA_X_B88, XC_GGA_C_LYP}; in xc_hyb_gga_xc_b1lyp_init() local 80 static int funcs_id [2] = {XC_GGA_X_B88, XC_GGA_C_PW91}; in xc_hyb_gga_xc_b1pw91_init() local 107 int funcs_id [2] = {XC_GGA_X_MPW91, 0}; in xc_hyb_gga_xc_mpw1pw_init() local 182 static int funcs_id [2] = {XC_GGA_X_MPW91, XC_GGA_C_PW91}; in xc_hyb_gga_xc_mpw1k_init() local 209 static int funcs_id [2] = {XC_LDA_X, XC_GGA_C_LYP}; in xc_hyb_gga_xc_bhandh_init() local 236 static int funcs_id [2] = {XC_GGA_X_B88, XC_GGA_C_LYP}; in xc_hyb_gga_xc_bhandhlyp_init() local 263 static int funcs_id [2] = {XC_GGA_X_B88, XC_GGA_C_LYP}; in xc_hyb_gga_xc_blyp35_init() local 290 static int funcs_id [2] = {XC_GGA_X_MPW91, XC_GGA_C_LYP}; in xc_hyb_gga_xc_mpwlyp1m_init() local
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H A D | hyb_mgga_xc_b88b95.c | 27 static int funcs_id [2] = {XC_GGA_X_B88, XC_MGGA_C_BC95}; in xc_hyb_mgga_xc_b88b95_init() local 55 static int funcs_id [2] = {XC_GGA_X_B86, XC_MGGA_C_BC95}; in xc_hyb_mgga_xc_b86b95_init() local 83 static int funcs_id [2] = {XC_GGA_X_PW86, XC_MGGA_C_BC95}; in xc_hyb_mgga_xc_pw86b95_init() local 111 static int funcs_id [2] = {XC_GGA_X_B88, XC_MGGA_C_BC95}; in xc_hyb_mgga_xc_bb1k_init() local 139 static int funcs_id [2] = {XC_GGA_X_MPW91, XC_MGGA_C_BC95}; in xc_hyb_mgga_xc_mpw1b95_init() local 167 static int funcs_id [2] = {XC_GGA_X_MPW91, XC_MGGA_C_BC95}; in xc_hyb_mgga_xc_mpwb1k_init() local 197 static int funcs_id [3] = {XC_GGA_X_B88, XC_GGA_X_PW91, XC_MGGA_C_BC95}; in xc_hyb_mgga_xc_x1b95_init() local 231 static int funcs_id [3] = {XC_GGA_X_B88, XC_GGA_X_PW91, XC_MGGA_C_BC95}; in xc_hyb_mgga_xc_xb1k_init() local 263 static int funcs_id [2] = {XC_GGA_X_MPW91, XC_MGGA_C_BC95}; in xc_hyb_mgga_xc_pw6b95_init() local 296 static int funcs_id [2] = {XC_GGA_X_MPW91, XC_MGGA_C_BC95}; in xc_hyb_mgga_xc_pwb6k_init() local [all …]
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H A D | hyb_gga_xc_hse.c | 66 int funcs_id [3] = {XC_GGA_X_WPBEH, XC_GGA_X_WPBEH, XC_GGA_C_PBE}; in hyb_gga_xc_hse_init() local 159 int funcs_id [3] = {XC_GGA_X_HJS_PBE_SOL, XC_GGA_X_HJS_PBE_SOL, XC_GGA_C_PBE}; in hyb_gga_xc_hse_sol_init() local 189 static int funcs_id [2] = {XC_GGA_X_WPBEH, XC_GGA_C_PBE}; in hyb_gga_xc_lc_wpbe_init() local 220 static int funcs_id [2] = {XC_GGA_X_HJS_PBE, XC_GGA_C_PBE}; in hyb_gga_xc_lrc_wpbeh_init() local 234 static int funcs_id [2] = {XC_GGA_X_HJS_PBE, XC_GGA_C_PBE}; in hyb_gga_xc_lrc_wpbe_init() local 280 static int funcs_id [2] = {XC_GGA_X_HJS_PBE, XC_GGA_C_PBE}; in hyb_gga_xc_lc_wpbe_whs_init() local 294 static int funcs_id [2] = {XC_GGA_X_HJS_PBE, XC_GGA_C_PBE}; in hyb_gga_xc_lc_wpbe08_whs_init() local 308 static int funcs_id [2] = {XC_GGA_X_HJS_PBE_SOL, XC_GGA_C_PBE_SOL}; in hyb_gga_xc_lc_wpbesol_whs_init() local 322 static int funcs_id [2] = {XC_GGA_X_HJS_PBE, XC_GGA_C_PBE}; in hyb_gga_xc_lc_wpbeh_whs_init() local 400 static int funcs_id [3] = {-1, -1, XC_GGA_C_PBE}; in hyb_gga_xc_hjs_init() local
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H A D | hyb_gga_xc_pbeh.c | 44 static int funcs_id [2] = {XC_GGA_X_PBE, XC_GGA_C_PBE}; in hyb_gga_xc_pbeh_init() local 72 static int funcs_id [2] = {XC_GGA_X_PBE, XC_GGA_C_PBE}; in hyb_gga_xc_pbe0_13_init() local 100 static int funcs_id [2] = {XC_GGA_X_PBEINT, XC_GGA_C_PBEINT}; in hyb_gga_xc_hpbeint_init() local 128 static int funcs_id [2] = {XC_GGA_X_PBE_MOL, XC_GGA_C_PBE_MOL}; in hyb_gga_xc_pbemol0_init() local 156 static int funcs_id [2] = {XC_GGA_X_PBE_SOL, XC_GGA_C_PBE_SOL}; in hyb_gga_xc_pbesol0_init() local 184 static int funcs_id [2] = {XC_GGA_X_PBE, XC_GGA_C_PBE}; in hyb_gga_xc_pbeb0_init() local 216 static int funcs_id [2] = {XC_GGA_X_PBE_MOL, XC_GGA_C_PBE}; in hyb_gga_xc_pbemolb0_init() local 248 static int funcs_id [2] = {XC_GGA_X_PBE, XC_GGA_C_PBE}; in hyb_gga_xc_pbe50_init() local
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H A D | gga_xc_edf1.c | 21 static int funcs_id [4] = {XC_LDA_X, XC_GGA_X_B88, XC_GGA_X_B88, XC_GGA_C_LYP}; in gga_xc_edf1_init() local 53 static int funcs_id [2] = {XC_GGA_X_PBE, XC_GGA_X_RPBE}; in gga_x_optpbe_vdw_init() local 84 static int funcs_id [3] = {XC_GGA_X_OPTX, XC_LDA_C_VWN, XC_GGA_C_LYP}; in gga_xc_mohlyp_init() local 113 static int funcs_id [2] = {XC_GGA_X_OPTX, XC_GGA_C_LYP}; in gga_xc_mohlyp2_init() local 142 static int funcs_id [2] = {XC_GGA_X_PBE, XC_GGA_X_RPBE}; in gga_x_sogga_init() local 173 int funcs_id [2] = {XC_LDA_X_ERF, XC_GGA_C_LYP}; in gga_xc_lb07_init() local
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H A D | hyb_gga_xc_b3lyp.c | 66 static int funcs_id [4] = {XC_LDA_X, XC_GGA_X_B88, XC_LDA_C_PW, XC_GGA_C_PW91}; in xc_hyb_gga_xc_b3pw91_init() local 92 static int funcs_id [4] = {XC_LDA_X, XC_GGA_X_B88, XC_LDA_C_VWN_RPA, XC_GGA_C_LYP}; in xc_hyb_gga_xc_b3lyp_init() local 118 static int funcs_id [4] = {XC_LDA_X, XC_GGA_X_B88, XC_LDA_C_VWN, XC_GGA_C_LYP}; in xc_hyb_gga_xc_b3lyp5_init() local 144 static int funcs_id [4] = {XC_LDA_X, XC_GGA_X_B88, XC_LDA_C_VWN_RPA, XC_GGA_C_P86}; in xc_hyb_gga_xc_b3p86_init() local 196 static int funcs_id [4] = {XC_LDA_X, XC_GGA_X_MPW91, XC_LDA_C_VWN_RPA, XC_GGA_C_LYP}; in xc_hyb_gga_xc_mpw3lyp_init() local 252 static int funcs_id [4] = {XC_LDA_X, XC_GGA_X_B88, XC_LDA_C_RC04, XC_GGA_C_LYP}; in xc_hyb_gga_xc_mb3lyp_rc04_init() local 314 static int funcs_id [4] = {XC_LDA_X, XC_GGA_X_B88, XC_LDA_C_VWN, XC_GGA_C_LYP}; in xc_hyb_gga_xc_b5050lyp_init() local 367 static int funcs_id [3] = {XC_LDA_X, XC_LDA_C_VWN_RPA, XC_GGA_C_LYP}; in xc_hyb_gga_xc_kmlyp_init() local 460 static int funcs_id[4] = {XC_LDA_X, XC_GGA_X_B88, XC_LDA_C_VWN_RPA, XC_GGA_C_LYP}; in xc_hyb_gga_xc_wc04_init() local 497 static int funcs_id[4] = {XC_LDA_X, XC_GGA_X_B88, XC_LDA_C_VWN_RPA, XC_GGA_C_LYP}; in xc_hyb_gga_xc_wp04_init() local [all …]
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H A D | gga_xc_1w.c | 19 static int funcs_id [4] = {XC_LDA_X, XC_GGA_X_B88, XC_GGA_X_PW91, XC_GGA_C_LYP}; in gga_xc_xlyp_init() local 45 static int funcs_id [3] = {XC_LDA_C_VWN, XC_GGA_X_PBE, XC_GGA_C_PBE}; in gga_xc_pbe1w_init() local 71 static int funcs_id [3] = {XC_LDA_C_VWN, XC_GGA_X_MPW91, XC_GGA_C_LYP}; in gga_xc_mpwlyp1w_init() local 97 static int funcs_id [3] = {XC_LDA_C_VWN, XC_GGA_X_PBE, XC_GGA_C_LYP}; in gga_xc_pbelyp1w_init() local
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H A D | gga_k_gds08.c | 20 static int funcs_id [2] = {XC_GGA_K_VW, XC_LDA_K_GDS08_WORKER}; in gga_k_gds08_init() local 45 static int funcs_id [2] = {XC_GGA_K_TFVW, XC_LDA_K_GDS08_WORKER}; in gga_k_ghds10_init() local 74 static int funcs_id [2] = {XC_GGA_K_TFVW, XC_LDA_K_GDS08_WORKER}; in gga_k_ghds10r_init() local 103 static int funcs_id [2] = {XC_GGA_K_TFVW, XC_LDA_K_GDS08_WORKER}; in gga_k_tkvln_init() local
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H A D | gga_xc_oblyp_d.c | 18 static int funcs_id [4] = {XC_GGA_X_B88, XC_GGA_C_LYP}; in gga_xc_oblyp_d_init() local 49 static int funcs_id [4] = {XC_GGA_X_MPW91, XC_GGA_C_LYP}; in gga_xc_opwlyp_d_init() local 80 static int funcs_id [4] = {XC_GGA_X_PBE, XC_GGA_C_PBE}; in gga_xc_opbe_d_init() local
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H A D | hyb_mgga_xc_tpssh.c | 17 static int funcs_id [2] = {XC_MGGA_X_TPSS, XC_MGGA_C_TPSS}; in hyb_mgga_xc_tpssh_init() local 45 static int funcs_id [2] = {XC_MGGA_X_REVTPSS, XC_MGGA_C_REVTPSS}; in hyb_mgga_xc_revtpssh_init() local
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H A D | gga_xc_vv10.c | 17 static int funcs_id [2] = {XC_GGA_X_RPW86, XC_GGA_C_PBE}; in gga_xc_vv10_init() local 28 static int funcs_id [2] = {XC_GGA_X_HJS_PBE, XC_GGA_C_PBE}; in hyb_gga_xc_lc_vv10_init() local
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H A D | gga_c_zvpbeloc.c | 38 static int funcs_id [2] = {XC_GGA_X_APBE, XC_GGA_C_APBE}; in xc_hyb_gga_xc_apbe0_init() local 65 static int funcs_id [3] = {XC_GGA_X_APBE, XC_GGA_C_APBE, XC_GGA_C_ZVPBELOC}; in xc_hyb_gga_xc_hapbe_init() local
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H A D | mgga_c_scanl.c | 40 static int funcs_id [1] = {XC_MGGA_C_SCANL}; in mgga_c_scan_rvv10_init() local 68 static int funcs_id [1] = {XC_MGGA_C_SCANL}; in mgga_c_scan_vv10_init() local
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H A D | mgga_c_scan.c | 40 static int funcs_id [1] = {XC_MGGA_C_SCAN}; in mgga_c_scan_rvv10_init() local 68 static int funcs_id [1] = {XC_MGGA_C_SCAN}; in mgga_c_scan_vv10_init() local
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H A D | gga_x_kt.c | 59 static int funcs_id [2] = {XC_GGA_X_KT1, XC_LDA_C_VWN}; in gga_xc_kt1_init() local 85 static int funcs_id [3] = {XC_LDA_X, XC_GGA_X_KT1, XC_LDA_C_VWN}; in gga_xc_kt2_init() local 111 static int funcs_id [4] = {XC_LDA_X, XC_GGA_C_LYP, XC_GGA_X_KT1, XC_GGA_X_OPTX}; in gga_xc_kt3_init() local
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H A D | hyb_gga_xc_cam_b3lyp.c | 21 static int funcs_id [4] = {XC_GGA_X_B88, XC_GGA_X_ITYH, XC_LDA_C_VWN, XC_GGA_C_LYP}; in xc_hyb_gga_xc_cam_b3lyp_init() local 101 static int funcs_id [4] = {XC_LDA_X, XC_GGA_X_B88, XC_GGA_X_ITYH, XC_GGA_C_LYP}; in xc_hyb_gga_xc_rcam_b3lyp_init() local 175 static int funcs_id [3] = {XC_GGA_X_PBE, XC_GGA_X_HJS_PBE, XC_GGA_C_PBE}; in hyb_gga_xc_cam_pbeh_init() local
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H A D | hyb_gga_xc_o3lyp.c | 20 static int funcs_id[4] = {XC_LDA_X, XC_GGA_X_OPTX, XC_LDA_C_VWN, XC_GGA_C_LYP}; in gga_xc_o3lyp_init() local 64 static int funcs_id[5] = {XC_LDA_X, XC_GGA_X_B88, XC_GGA_X_PW91, XC_LDA_C_VWN_RPA, XC_GGA_C_LYP}; in gga_xc_x3lyp_init() local
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H A D | hyb_gga_xc_camy_b3lyp.c | 18 static int funcs_id [4] = {XC_GGA_X_B88, XC_GGA_X_SFAT, XC_LDA_C_VWN, XC_GGA_C_LYP}; in xc_hyb_gga_xc_camy_b3lyp_init() local 96 static int funcs_id [3] = {XC_GGA_X_PBE, XC_GGA_X_SFAT, XC_GGA_C_PBE}; in hyb_gga_xc_camy_pbeh_init() local
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H A D | hyb_mgga_x_mvsh.c | 16 static int funcs_id [1] = {XC_MGGA_X_MVS}; in hyb_mgga_x_mvsh_init() local
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H A D | mgga_xc_hle17.c | 16 static int funcs_id [2] = {XC_MGGA_X_TPSS, XC_MGGA_C_TPSS}; in mgga_xc_hle17_init() local
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H A D | hyb_gga_xc_lc_blyp.c | 16 static int funcs_id [2] = {XC_GGA_X_ITYH, XC_GGA_C_LYP}; in xc_hyb_gga_xc_lc_blyp_init() local
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H A D | hyb_gga_xc_lcy_blyp.c | 16 static int funcs_id [2] = {XC_GGA_X_SFAT, XC_GGA_C_LYP}; in xc_hyb_gga_xc_lcy_blyp_init() local
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H A D | hyb_gga_xc_lcy_pbe.c | 16 static int funcs_id [2] = {XC_GGA_X_SFAT_PBE, XC_GGA_C_PBE}; in xc_hyb_gga_xc_lcy_pbe_init() local
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H A D | gga_x_beefvdw.c | 40 static int funcs_id [3] = {XC_GGA_X_BEEFVDW, XC_LDA_C_PW_MOD, XC_GGA_C_PBE}; in gga_xc_beefvdw_init() local
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H A D | gga_x_gg99.c | 40 static int funcs_id [2] = {XC_LDA_X, XC_GGA_X_GG99}; in gga_x_kgg_init() local
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