/dports/science/libxc/libxc-5.0.0/src/maple2c/lda_exc/ |
H A D | lda_xc_ksdt.c | 8211 t9033 = t1989 * t3484; in func_pol() 9408 t12360 = t1191 * t9033; in func_pol() 12381 t21927 = t2279 * t9033; in func_pol() 12509 t22356 = t2290 * t9033; in func_pol() 12797 t23429 = t2275 * t9033; in func_pol() 12867 t23692 = t2331 * t9033; in func_pol() 13003 t24270 = t6546 * t9033; in func_pol() 14572 t31041 = t8939 * t9033; in func_pol() 14573 t31043 = t8943 * t9033; in func_pol() 14817 t32152 = t3590 * t9033; in func_pol() [all …]
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H A D | lda_c_pmgb06.c | 1833 double t9017, t9018, t9024, t9027, t9028, t9029, t9033, t9034; in func_pol() local 6915 t9033 = 0.2e1 / 0.15e2 * t1453 * t1454 * t168 * t7855; in func_pol() 6941 …t9081 = -t9024 + t9027 + t9029 + t9033 + t9037 + t9044 + t9049 + t9054 - t9056 - t9058 - t9060 + t… in func_pol() 7325 …t10292 = t9029 + t9033 + t9037 + t9044 + t9049 + t9054 - t9056 - t9058 - t9060 + t9062 - t9067 - t… in func_pol()
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/dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/ |
H A D | mgga_x_vt84.c | 6899 double t9024, t9025, t9026, t9029, t9032, t9033, t9036, t9039; in func_pol() local 11085 t9033 = t9032 * t1295; in func_pol() 11116 …t9129 = 0.20e2 / 0.27e2 * t1994 * t9029 + 0.6e1 * t9033 * t1274 - 0.6e1 * t9036 * t781 - 0.6466042… in func_pol() 11127 …t9033 * t487 - 0.10e2 / 0.81e2 * t787 * t9150 - 0.27326058490800000000e-4 * t9153 * t9154 * t225 +… in func_pol() 14371 …* t783 * t468 - t9106 * t490 + t9106 * t483 + 0.11178000000000000000e-2 * t9033 * t3479 + 0.20e2 /… in func_pol() 14388 …t9033 * t7340 - 0.20e2 / 0.27e2 * t5052 * t9029 - 0.18630000000000000000e-3 * t28783 * t483 + 0.6e… in func_pol() 14394 …90561362914616000e-7 * t9110 * t9111 * t512 + 0.10412307000000000000e-6 * t9033 * t483 - 0.8197817… in func_pol() 14407 …t2606 + 0.33534000000000000000e-2 * t21474 * t1973 + 0.6e1 * t9033 * t10955 - 0.18e2 * t9033 * t28… in func_pol() 15131 …t9033 * t12845 - 0.18e2 * t9033 * t12841 - 0.6e1 * t32559 * t781 + 0.11178000000000000000e-2 * t90… in func_pol() 15143 … 0.20824614000000000000e-6 * t28673 * t4625 - 0.10412307000000000000e-6 * t9033 * t666 + 0.10e2 / … in func_pol() [all …]
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H A D | mgga_c_m08.c | 4114 double t9030, t9033, t9036, t9043, t9044, t9047, t9048, t9051; in func_pol() local 7863 t9033 = t2796 * t1701; in func_pol() 7869 …44 - 0.43368140941025997310e0 * t9030 * t810 + 0.86736281882051994620e0 * t9033 * t2723 + 0.433681… in func_pol() 7917 …44 - 0.43368140941025997310e0 * t9030 * t822 + 0.86736281882051994620e0 * t9033 * t2762 + 0.433681… in func_pol() 7987 …69 - 0.43368140941025997310e0 * t9315 * t810 + 0.17347256376410398924e1 * t9033 * t2799 + 0.867362… in func_pol() 8006 …69 - 0.43368140941025997310e0 * t9315 * t822 + 0.17347256376410398924e1 * t9033 * t2830 + 0.867362… in func_pol() 11345 …t9033 * t8895 + 0.86736281882051994620e0 * t30436 * t2830 - 0.52041769129231196772e1 * t30587 * t9… in func_pol() 11527 …82 - 0.65854491829355115987e0 * t803 * t8676 + 0.52041769129231196772e1 * t9033 * t9330 + 0.260208… in func_pol() 11550 …036 * t9339 - 0.52041769129231196772e1 * t31115 * t9327 + 0.26020884564615598386e1 * t9033 * t9333; in func_pol() 11568 …3368140941025997310e0 * t808 * t809 * t33378 + 0.52041769129231196772e1 * t9033 * t9399 - 0.780626… in func_pol() [all …]
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H A D | mgga_c_scan.c | 10116 t9033 = 0.1e1 / t9032; in func_pol() 10117 t9034 = t9033 * t351; in func_pol() 10123 t9041 = t9033 * t112; in func_pol() 10132 t9052 = t2870 * t9033; in func_pol() 17877 t34431 = t1181 * t9033; in func_pol() 17946 t34561 = t34557 * t34558 * t9033 * t387; in func_pol() 17958 t34587 = t396 * t9033; in func_pol() 17982 t34626 = t34622 * t34623 * t9033 * t394; in func_pol() 18001 t34659 = t34656 * t34558 * t9033 * t325; in func_pol() 18325 t35208 = t34557 * t34558 * t9033 * t521; in func_pol() [all …]
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H A D | mgga_c_vsxc.c | 3581 double t9030, t9031, t9032, t9033, t9034, t9036, t9037, t9039; in func_pol() local 9006 t9033 = t9032 * t644; in func_pol() 9007 t9034 = t6464 * t9033; in func_pol() 9015 t9047 = t6472 * t9033; in func_pol() 9024 t9066 = t6480 * t9033; in func_pol() 12826 …= -0.48e2 * t21414 * t9033 + 0.256e3 * t6472 * t28839 + 0.48e2 * t24735 * t2460 - 0.128e3 * t7814 … in func_pol() 13401 … 0.120e3 * t21417 * t32663 + 0.36e2 * t24735 * t2912 - 0.180e3 * t24738 * t9033 + 0.48e2 * t6464 *… in func_pol() 13629 … + 0.48e2 * t24735 * t3053 - 0.240e3 * t24738 * t9554 - 0.60e2 * t27264 * t9033 + 0.12e2 * t27267 … in func_pol()
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H A D | mgga_x_ms.c | 2962 double t8936, t8987, t9014, t9027, t9033, t9042, t9048, t9050; in func_pol() local 6285 t9033 = t670 * t3252; in func_pol() 6309 …v4rhosigma3[0] = -t9033 / 0.2e1 - t274 * t673 * t3251 * t137 / 0.2e1 - 0.3e1 / 0.8e1 * t274 * t275… in func_pol() 6340 v4rhosigma3[10] = -t274 * t673 * t3251 * t211 / 0.2e1 - t9033 / 0.2e1; in func_pol()
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H A D | mgga_x_m11_l.c | 4281 double t9027, t9029, t9031, t9033, t9035, t9037, t9040, t9042; in func_pol() local 7401 t9033 = t8 * t498 * t3394; in func_pol() 7408 … t9016 / 0.6e1 + t6193 / 0.12e2 - t9021 / 0.2e1 - t9027 / 0.2e1 + t9031 - t9033 / 0.8e1 - t9037 / … in func_pol() 7937 …6e1 - t11323 - t11327 - t8994 / 0.2e1 - t11332 + t11333 - 0.3e1 / 0.8e1 * t9033 - t11338 - t11343 … in func_pol() 10041 …t21846 = t6193 / 0.2e1 - t9021 - t9027 + 0.2e1 * t9031 - t9033 / 0.4e1 - t9037 / 0.3e1 - 0.2e1 / 0… in func_pol() 10368 …/ 0.2e1 * t9021 - 0.3e1 / 0.2e1 * t9027 + 0.3e1 * t9031 - 0.3e1 / 0.4e1 * t9033 - t11338 - t11343 … in func_pol() 10553 … 0.2e1 * t8994 - 0.2e1 * t11331 + 0.4e1 / 0.3e1 * t7974 - 0.3e1 / 0.2e1 * t9033 - 0.6e1 * t11337 -… in func_pol()
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H A D | mgga_x_mbeefvdw.c | 376 double t9033, t9035, t9038, t9039, t9041, t9042, t9044, t9045; in func_unpol() local 3835 t9033 = t613 * t9032; in func_unpol() 8918 double t9033, t9035, t9037, t9039, t9040, t9044, t9047, t9049; in func_ferr() local 12318 t9033 = t771 * t8807; in func_ferr() 17233 double t9013, t9016, t9033, t9034, t9044, t9063, t9082, t9087; in func_pol() local 22014 t9033 = t1028 * t1213; in func_pol() 22015 t9034 = t9033 * t290; in func_pol() 28761 t35110 = t5087 * t9033 * t7087; in func_pol() 28805 t35226 = t5098 * t9033 * t7087; in func_pol() 28947 t35580 = t4899 * t9033 * t7087; in func_pol() [all …]
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H A D | mgga_x_mn12.c | 3876 double t9033, t9034, t9042, t9070, t9107, t9125, t9128, t9133; in func_pol() local 6858 t9033 = t8993 + t9032; in func_pol() 6859 t9034 = t9033 * sigma[0]; in func_pol() 8964 … - 0.25600000000000000000e-3 * t9203 * t412 + 0.12800000000000000000e-3 * t9033 * t98 * t412 + 0.2… in func_pol() 9306 …t25789 = 0.64e-4 * t25737 * t1655 + 0.81920000000000000002e-8 * t25740 * t5457 + 0.4e-2 * t9033 * … in func_pol()
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H A D | mgga_x_mbrxc_bg.c | 24141 double t9028, t9029, t9030, t9031, t9032, t9033, t9034, t9035; in func_pol() local 34521 t9033 = t9032 * t6927; in func_pol() 34522 t9034 = t6968 * t9033; in func_pol() 34695 t9214 = t6955 * t9033; in func_pol() 34706 t9225 = t6973 * t9033; in func_pol() 34747 t9266 = t6926 * t9033; in func_pol() 47799 t42534 = t34259 * t9033; in func_pol() 47801 t42538 = t33557 * t9033; in func_pol() 47802 t42540 = t33639 * t9033; in func_pol() 47857 t42693 = t34115 * t9033; in func_pol() [all …]
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H A D | mgga_x_regtpss.c | 8805 double t9030, t9032, t9033, t9034, t9039, t9042, t9043, t9046; in func_pol() local 13375 t9033 = t5540 * t9032; in func_pol() 13376 t9034 = t5539 * t9033; in func_pol() 16693 …068055555555556e0 * t7079 * t26811 - 0.81975238608277874225e-1 * t16365 * t9033 - 0.1292832e1 * t2… in func_pol() 17887 …00000000e0 * t7123 * t5524 * t27361 - 0.24592571582483362268e0 * t21229 * t9033 - 0.17078174710057… in func_pol() 18227 …t35113 = -0.10851534027777777778e0 * t29794 * t2560 - 0.81975238608277874225e-1 * t23796 * t9033 -… in func_pol()
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H A D | hyb_mgga_x_pjs18.c | 3779 double t9011, t9012, t9025, t9028, t9029, t9031, t9033, t9035; in func_pol() local 7242 t9033 = t2768 * t1914; in func_pol() 7250 … / 0.2e1 + t488 * t9025 / 0.2e1 - 0.5e1 * t9029 - 0.5e1 * t9031 - 0.5e1 * t9033 - 0.10e2 * t9036 +… in func_pol() 7291 …t9370 = 0.15e2 / 0.2e1 * t9038 - 0.2e1 * t9031 - t9041 - 0.2e1 * t9033 - 0.2e1 * t9029 + t9346 * t… in func_pol()
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H A D | mgga_x_br89_explicit.c | 368 double t9028, t9030, t9032, t9033, t9035, t9036, t9038, t9039; in func_unpol() local 3617 t9033 = t2163 * t9032; in func_unpol() 3631 …2 * t9028 - 0.42223504187822927272e3 * t9030 - 0.25472436117940803447e5 * t9033 - 0.13342704633207… in func_unpol() 3670 …1 * t9028 - 0.31995293480632593581e3 * t9030 - 0.25472436029564037530e5 * t9033 - 0.13342704586914… in func_unpol() 3733 …1 * t9028 + 0.14486736410807155551e5 * t9030 + 0.13880765345436670212e7 * t9033 + 0.72708770857049… in func_unpol() 3764 …1 * t9028 + 0.15450155955475416113e5 * t9030 + 0.13880746048131990354e7 * t9033 + 0.72708669775929… in func_unpol() 14194 double t9031, t9032, t9033, t9034, t9035, t9036, t9037, t9038; in func_pol() local 20877 t9033 = 0.32546486390256072511e0 * t9032; in func_pol() 20900 …t9056 = -t9016 - t9019 - t9022 - t9025 - t9027 - t9029 + t9031 + t9033 - t9036 - t9038 + t9041 + t… in func_pol() 21125 t9446 = t9435 - t9437 - t9439 - t9441 - t9443 - t9445 - t9038 - t9019 - t9025 - t9029 + t9033; in func_pol()
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H A D | mgga_xc_b97mv.c | 4073 double t9030, t9031, t9032, t9033, t9034, t9035, t9036, t9037; in func_pol() local 9259 t9033 = 0.2e1 * t9032; in func_pol() 9305 …t9117 = t9031 + t9033 + t9034 + t9037 - t9039 - t9041 - t9044 - t9103 + t9106 - t9108 - t9111 - t9… in func_pol() 13934 …t29610 = t29603 + t29604 + t29605 + t9031 + t9033 + t9034 + t9037 + t29606 + t29607 - t29608 - t29… in func_pol()
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H A D | hyb_mgga_xc_wb97mv.c | 4416 double t9029, t9031, t9032, t9033, t9035, t9041, t9042, t9044; in func_pol() local 10283 t9033 = t2290 * t9032; in func_pol() 10284 …0700000000000000e-1 * t9009 - 0.15545350000000000000e-1 * t9029 + 0.32163958997385070134e2 * t9033; in func_pol() 15847 … * t9009 - 0.46636050000000000000e-1 * t9029 + 0.96491876992155210402e2 * t9033 + t5585 - t5587 - … in func_pol() 17970 … * t9009 - 0.31090700000000000000e-1 * t9029 + 0.64327917994770140268e2 * t9033 - t11206 / 0.8e1 -… in func_pol()
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/dports/science/libxc/libxc-5.0.0/src/maple2c/gga_exc/ |
H A D | gga_c_revtca.c | 1530 double t9027, t9031, t9033, t9035, t9037, t9041, t9044, t9047; in func_pol() local 5601 t9033 = t8021 * t2502; in func_pol() 5608 …* t9027 + 0.28901190981112626130e-1 * t9031 - 0.86703572943337878388e-1 * t9033 + 0.86703572943337… in func_pol() 5679 t9257 = 0.86703572943337878384e-1 * t9033; in func_pol() 5819 … * t9024 + 0.57802381962225252260e-1 * t9031 + 0.17340714588667575678e0 * t9033 + 0.17340714588667… in func_pol() 5854 t9778 = 0.17340714588667575677e0 * t9033; in func_pol()
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H A D | gga_c_op_pw91.c | 1008 double t9025, t9028, t9029, t9033, t9036, t9040, t9071, t9076; in func_pol() local 3756 t9033 = t225 * t2836 * t194; in func_pol() 3759 …t9033 - 0.66812142629441664000e2 * t749 * t9036 - 0.12026185673299499520e3 * t757 * t9040 - 0.2385… in func_pol()
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H A D | gga_x_n12.c | 1245 double t8944, t8970, t9001, t9003, t9033, t9035, t9066, t9068; in func_pol() local 3488 …t9033 = -0.3072e-5 * t3648 * t51 + 0.28672000000000000000e-7 * t80 * t246 * t8944 - 0.655360000000… in func_pol() 3492 … 0.15728640000000000000e-13 * t243 * t8970 + t9001 * t77 - t9003 * t283 + t9033 * t94 - 0.2e1 * t9… in func_pol()
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H A D | gga_c_zvpbeint.c | 2656 double t8980, t8981, t8999, t9015, t9020, t9033, t9041, t9055; in func_pol() local 7691 t9033 = t636 * t386; in func_pol() 7692 …09 * t1167 + 0.9e1 * t2292 * t309 * t419 * t723 - 0.9e1 * t3139 * t1535 * t9033 + t414 * t7209 - t… in func_pol() 8602 …9e1 / 0.32e2 * t13771 + 0.27e2 / 0.4e1 * t13773 - 0.9e1 * t3139 * t1656 * t9033 + 0.13e2 / 0.32e2 … in func_pol() 8661 …2e2 * t13845 + t14297 - 0.27e2 / 0.8e1 * t13858 - 0.9e1 * t3139 * t4368 * t9033 + 0.9e1 * t7192 * … in func_pol()
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H A D | gga_c_pw91.c | 2250 double t9029, t9033, t9037, t9041, t9042, t9049, t9054, t9058; in func_pol() local 6829 t9033 = t3233 * t827; in func_pol() 6840 …5117e0 * t1030 * t2076 * t9029 - 0.26079484469366273564e0 * t987 * t142 * t9033 - 0.20863587575493… in func_pol() 6898 …0.18137053605011111023e0 * t1030 * t826 * t9322 - 0.45342634012527777558e-1 * t1030 * t153 * t9033; in func_pol()
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H A D | gga_c_sogga11.c | 3223 double t9024, t9031, t9033, t9034, t9037, t9038, t9045, t9052; in func_pol() local 7529 t9033 = t8922 + t8949 + t8981 + t9031; in func_pol() 7530 t9034 = t242 * t9033; in func_pol() 7554 t9208 = -t9033; in func_pol() 7557 …t9235 = 0.18e2 * t1870 * t9086 + 0.180e3 * t2039 * t9126 + t243 * t9033 - 0.12e2 * t7626 * t2635 -… in func_pol()
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H A D | gga_x_hjs_b88_v2.c | 6826 double t9022, t9033, t9034, t9037, t9041, t9042, t9044, t9046; in func_pol() local 11536 t9033 = t764 * t565; in func_pol() 11537 t9034 = t9033 * t2700; in func_pol() 14752 …t21296 = -0.32e2 / 0.27e2 * t21250 + 0.32e2 / 0.9e1 * t2778 * t9033 * t5709 + 0.32e2 / 0.27e2 * t2… in func_pol() 15315 …+ 0.8e1 / 0.9e1 * t2778 * t2294 * t565 * t2700 - 0.32e2 / 0.9e1 * t8605 * t9033 * t8421 + 0.8e1 / … in func_pol() 15674 …14 + 0.112e3 / 0.27e2 * t24681 * t8933 * t24022 + 0.8e1 / 0.9e1 * t2778 * t9033 * t8425 + 0.8e1 / … in func_pol() 16796 … * t1108 * t29694 + 0.352e3 / 0.81e2 * t29697 - 0.64e2 / 0.27e2 * t8605 * t9033 * t9796 + 0.8e1 * … in func_pol() 16930 …425 - 0.64e2 / 0.27e2 * t8605 * t9988 * t8421 + 0.16e2 / 0.27e2 * t2778 * t9033 * t9802 + 0.16e2 /… in func_pol() 17544 …t33975 = 0.8e1 / 0.9e1 * t2778 * t9033 * t10774 - 0.4e1 * t9891 * t3644 - 0.56e2 / 0.81e2 * t21307… in func_pol()
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H A D | gga_c_optc.c | 2684 double t9004, t9006, t9009, t9013, t9020, t9027, t9033, t9036; in func_pol() local 8364 t9033 = t6375 * t1118; in func_pol() 8408 …1589841365364938022e3 * t2196 * t3158 * t725 - 0.16593709027135715028e5 * t9033 * t3248 - 0.154769… in func_pol() 14630 …7384762048047407033e3 * t6364 * t3158 * t725 - 0.24890563540703572542e5 * t9033 * t9158 + 0.309539… in func_pol() 14653 …934338124422143525e6 * t6389 * t3158 * t9044 - 0.46430857228828444219e4 * t9033 * t9037 + 0.515898… in func_pol() 15772 …t35615 = -0.10674627872071865570e7 * t20682 * t4014 * t12073 - 0.33187418054271430056e5 * t9033 * … in func_pol()
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H A D | gga_c_q2d.c | 4242 double t9031, t9032, t9033, t9035, t9036, t9038, t9039, t9041; in func_pol() local 10857 t9033 = t600 * t2848; in func_pol() 10866 …t9050 = -0.12453438426595879168e0 * t9033 + 0.12453438426595879168e0 * t9036 + 0.14202987121520739… in func_pol() 11097 t9418 = 0.24906876853191758336e0 * t9033; in func_pol() 11510 …t9982 = -0.49813753706383516672e0 * t9033 + 0.59776504447660220006e1 * t9042 + 0.56811948486082959… in func_pol()
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