/dports/science/libxc/libxc-5.0.0/src/ |
H A D | hyb_gga_xc_b1wc.c | 27 static double funcs_coef[2] = {1.0 - 0.16, 1.0}; in xc_hyb_gga_xc_b1wc_init() local 54 static double funcs_coef[2] = {1.0 - 0.25, 1.0}; in xc_hyb_gga_xc_b1lyp_init() local 81 static double funcs_coef[2] = {1.0 - 0.25, 1.0}; in xc_hyb_gga_xc_b1pw91_init() local 108 double funcs_coef[2] = {1.0 - 0.25, 1.0}; in xc_hyb_gga_xc_mpw1pw_init() local 183 static double funcs_coef[2] = {1.0 - 0.428, 1.0}; in xc_hyb_gga_xc_mpw1k_init() local 210 static double funcs_coef[2] = {0.5, 1.0}; in xc_hyb_gga_xc_bhandh_init() local 237 static double funcs_coef[2] = {0.5, 1.0}; in xc_hyb_gga_xc_bhandhlyp_init() local 264 static double funcs_coef[2] = {0.65, 1.0}; in xc_hyb_gga_xc_blyp35_init() local 291 static double funcs_coef[2] = {1.0 - 0.05, 1.0}; in xc_hyb_gga_xc_mpwlyp1m_init() local
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H A D | hyb_mgga_xc_b88b95.c | 28 static double funcs_coef[2] = {1.0 - 0.28, 1.0}; in xc_hyb_mgga_xc_b88b95_init() local 56 static double funcs_coef[2] = {1.0 - 0.28, 1.0}; in xc_hyb_mgga_xc_b86b95_init() local 84 static double funcs_coef[2] = {1.0 - 0.29, 1.0}; in xc_hyb_mgga_xc_pw86b95_init() local 112 static double funcs_coef[2] = {1.0 - 0.42, 1.0}; in xc_hyb_mgga_xc_bb1k_init() local 140 static double funcs_coef[2] = {1.0 - 0.31, 1.0}; in xc_hyb_mgga_xc_mpw1b95_init() local 168 static double funcs_coef[2] = {1.0 - 0.44, 1.0}; in xc_hyb_mgga_xc_mpwb1k_init() local 198 double funcs_coef[3]; in xc_hyb_mgga_xc_x1b95_init() local 232 double funcs_coef[3]; in xc_hyb_mgga_xc_xb1k_init() local 264 static double funcs_coef[2] = {1.0 - 0.28, 1.0}; in xc_hyb_mgga_xc_pw6b95_init() local 297 static double funcs_coef[2] = {1.0 - 0.46, 1.0}; in xc_hyb_mgga_xc_pwb6k_init() local [all …]
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H A D | hyb_gga_xc_hse.c | 67 double funcs_coef[3] = {1.0, 0.0, 1.0}; in hyb_gga_xc_hse_init() local 160 double funcs_coef[3] = {1.0, -0.25, 1.0}; in hyb_gga_xc_hse_sol_init() local 190 static double funcs_coef[2] = {1.0, 1.0}; in hyb_gga_xc_lc_wpbe_init() local 221 static double funcs_coef[2] = {0.8, 1.0}; in hyb_gga_xc_lrc_wpbeh_init() local 235 static double funcs_coef[2] = {1.0, 1.0}; in hyb_gga_xc_lrc_wpbe_init() local 281 static double funcs_coef[2] = {1.0, 1.0}; in hyb_gga_xc_lc_wpbe_whs_init() local 295 static double funcs_coef[2] = {1.0, 1.0}; in hyb_gga_xc_lc_wpbe08_whs_init() local 309 static double funcs_coef[2] = {1.0, 1.0}; in hyb_gga_xc_lc_wpbesol_whs_init() local 323 static double funcs_coef[2] = {0.75, 1.0}; in hyb_gga_xc_lc_wpbeh_whs_init() local 401 static double funcs_coef[3] = {1.0, -0.25, 1.0}; in hyb_gga_xc_hjs_init() local
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H A D | hyb_gga_xc_pbeh.c | 45 static double funcs_coef[2] = {0.0, 1.0}; in hyb_gga_xc_pbeh_init() local 73 static double funcs_coef[2] = {0.0, 1.0}; in hyb_gga_xc_pbe0_13_init() local 101 static double funcs_coef[2] = {0.0, 1.0}; in hyb_gga_xc_hpbeint_init() local 129 static double funcs_coef[2] = {0.0, 1.0}; in hyb_gga_xc_pbemol0_init() local 157 static double funcs_coef[2] = {0.0, 1.0}; in hyb_gga_xc_pbesol0_init() local 185 static double funcs_coef[2] = {0.0, 1.0}; in hyb_gga_xc_pbeb0_init() local 217 static double funcs_coef[2] = {0.0, 1.0}; in hyb_gga_xc_pbemolb0_init() local 249 static double funcs_coef[2] = {0.0, 1.0}; in hyb_gga_xc_pbe50_init() local
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H A D | gga_xc_edf1.c | 22 static double funcs_coef[4] = {1.030952 - 10.4017 + 8.44793, 10.4017, -8.44793, 1.0}; in gga_xc_edf1_init() local 54 static double funcs_coef[2] = {1.0 - 0.054732, 0.054732}; in gga_x_optpbe_vdw_init() local 85 static double funcs_coef[3] = {1.0, 0.5, 0.5}; in gga_xc_mohlyp_init() local 114 static double funcs_coef[2] = {1.0, 0.5}; in gga_xc_mohlyp2_init() local 143 static double funcs_coef[2] = {0.5, 0.5}; in gga_x_sogga_init() local 174 double funcs_coef[2] = {1.0 - 0.1, 1.0}; /* w = 0.1 */ in gga_xc_lb07_init() local
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H A D | hyb_gga_xc_b3lyp.c | 67 static double funcs_coef[4] = {0.0, 0.0, 0.0, 0.0}; /* set by ext_params */ in xc_hyb_gga_xc_b3pw91_init() local 93 static double funcs_coef[4] = {0.0, 0.0, 0.0, 0.0}; /* set by ext_params */ in xc_hyb_gga_xc_b3lyp_init() local 119 static double funcs_coef[4] = {0.0, 0.0, 0.0, 0.0}; /* set by ext_params */ in xc_hyb_gga_xc_b3lyp5_init() local 145 static double funcs_coef[4] = {0.0, 0.0, 0.0, 0.0}; /* set by ext_params */ in xc_hyb_gga_xc_b3p86_init() local 171 static double funcs_coef[4] = {0.0, 0.0, 0.0, 0.0}; /* set by ext_params */ in xc_hyb_gga_xc_mpw3pw_init() local 197 static double funcs_coef[4] = {0.0, 0.0, 0.0, 0.0}; /* set by ext_params */ in xc_hyb_gga_xc_mpw3lyp_init() local 253 static double funcs_coef[4] = {0.0, 0.0, 0.0, 0.0}; /* set by ext_params */ in xc_hyb_gga_xc_mb3lyp_rc04_init() local 368 static double funcs_coef[4] = {0.0, 0.0, 0.0}; /* set by ext_params */ in xc_hyb_gga_xc_kmlyp_init() local 424 double funcs_coef[6]; in xc_hyb_gga_xc_apf_init() local 461 double funcs_coef[4]; in xc_hyb_gga_xc_wc04_init() local [all …]
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H A D | gga_xc_1w.c | 20 static double funcs_coef[4] = {1.0 - 0.722 - 0.347, 0.722, 0.347, 1.0}; in gga_xc_xlyp_init() local 46 static double funcs_coef[3] = {1.0 - 74.0/100.0, 1.0, 74.0/100.0}; in gga_xc_pbe1w_init() local 72 static double funcs_coef[3] = {1.0 - 88.0/100.0, 1.0, 88.0/100.0}; in gga_xc_mpwlyp1w_init() local 98 static double funcs_coef[3] = {1.0 - 74.0/100.0, 1.0, 74.0/100.0}; in gga_xc_pbelyp1w_init() local
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H A D | gga_k_gds08.c | 21 static double funcs_coef[2] = {1.0, 1.0}; in gga_k_gds08_init() local 46 static double funcs_coef[2] = {1.0, 1.0}; in gga_k_ghds10_init() local 75 static double funcs_coef[2] = {1.0, 1.0}; in gga_k_ghds10r_init() local 104 static double funcs_coef[2] = {1.0, 1.0}; in gga_k_tkvln_init() local
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H A D | gga_xc_oblyp_d.c | 19 static double funcs_coef[4] = {1.0, 1.0}; in gga_xc_oblyp_d_init() local 50 static double funcs_coef[4] = {1.0, 1.0}; in gga_xc_opwlyp_d_init() local 81 static double funcs_coef[4] = {1.0, 1.0}; in gga_xc_opbe_d_init() local
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H A D | hyb_mgga_xc_tpssh.c | 18 static double funcs_coef[2] = {0.9, 1.0}; in hyb_mgga_xc_tpssh_init() local 46 static double funcs_coef[2] = {0.9, 1.0}; in hyb_mgga_xc_revtpssh_init() local
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H A D | gga_xc_vv10.c | 18 static double funcs_coef[2] = {1.0, 1.0}; in gga_xc_vv10_init() local 29 static double funcs_coef[2] = {1.0, 1.0}; in hyb_gga_xc_lc_vv10_init() local
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H A D | gga_c_zvpbeloc.c | 39 static double funcs_coef[2] = {0.75, 1.0}; in xc_hyb_gga_xc_apbe0_init() local 66 static double funcs_coef[3] = {0.80, 0.80, 0.20}; in xc_hyb_gga_xc_hapbe_init() local
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H A D | mgga_c_scanl.c | 41 static double funcs_coef[1] = {1.0}; in mgga_c_scan_rvv10_init() local 69 static double funcs_coef[1] = {1.0}; in mgga_c_scan_vv10_init() local
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H A D | mgga_c_scan.c | 41 static double funcs_coef[1] = {1.0}; in mgga_c_scan_rvv10_init() local 69 static double funcs_coef[1] = {1.0}; in mgga_c_scan_vv10_init() local
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H A D | gga_x_kt.c | 60 static double funcs_coef[2] = {1.0, 1.0}; in gga_xc_kt1_init() local 86 static double funcs_coef[3] = {1.07173 - 1.0, 1.0, 0.576727}; in gga_xc_kt2_init() local 112 double funcs_coef[4]; in gga_xc_kt3_init() local
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H A D | hyb_gga_xc_cam_b3lyp.c | 22 double funcs_coef[4]; in xc_hyb_gga_xc_cam_b3lyp_init() local 102 static double funcs_coef[4]; in xc_hyb_gga_xc_rcam_b3lyp_init() local 176 static double funcs_coef[3] = {1.0-0.2, 0.8, 1.0}; in hyb_gga_xc_cam_pbeh_init() local
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H A D | hyb_gga_xc_o3lyp.c | 21 double funcs_coef[4]; in gga_xc_o3lyp_init() local 65 double funcs_coef[5]; in gga_xc_x3lyp_init() local
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H A D | hyb_gga_xc_camy_b3lyp.c | 19 double funcs_coef[4]; in xc_hyb_gga_xc_camy_b3lyp_init() local 97 static double funcs_coef[3] = {0.2, 0.8, 1.0}; in hyb_gga_xc_camy_pbeh_init() local
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H A D | hyb_mgga_x_mvsh.c | 17 static double funcs_coef[1] = {0.75}; in hyb_mgga_x_mvsh_init() local
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H A D | mgga_xc_hle17.c | 17 static double funcs_coef[2] = {1.25, 0.5}; in mgga_xc_hle17_init() local
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H A D | hyb_gga_xc_lc_blyp.c | 17 static double funcs_coef[2]; in xc_hyb_gga_xc_lc_blyp_init() local
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H A D | hyb_gga_xc_lcy_blyp.c | 17 static double funcs_coef[2]; in xc_hyb_gga_xc_lcy_blyp_init() local
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H A D | hyb_gga_xc_lcy_pbe.c | 17 static double funcs_coef[2]; in xc_hyb_gga_xc_lcy_pbe_init() local
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H A D | gga_x_beefvdw.c | 41 static double funcs_coef[3] = {1.0, 0.6001664769, 1.0 - 0.6001664769}; in gga_xc_beefvdw_init() local
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H A D | gga_x_gg99.c | 41 static double funcs_coef[2] = {-0.047/X_FACTOR_C, 1.0}; in gga_x_kgg_init() local
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