/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/dft/ |
H A D | fun-pw91c.c | 254 t48 = 1/t47; in pw91c_first() 387 t48 = 1/t12; in pw91c_second() 472 t48*t53*pow(t64,2.0)*t98-5.312868949232586*t48*t14*t62*t61* in pw91c_second() 499 t48*t14*t53*t70*t98*t64-2.656434474616293*t48*t14*t71*t62* in pw91c_second() 511 t48*t14*t53*t76*t98*t64-2.656434474616293*t48*t14*t77*t62* in pw91c_second() 549 t14*t48*t53*pow(t70,2.0)*t98+2.656434474616293*t14*t48*t56* in pw91c_second() 556 t14*t48*t53*pow(t76,2.0)*t98+2.656434474616293*t14*t48*t56* in pw91c_second() 578 t48*t14*t71*t84*t62+5.312868949232586*t48*t14*t53*t84*t70* in pw91c_second() 585 t48*t14*t77*t84*t62+5.312868949232586*t48*t14*t53*t84*t76* in pw91c_second() 717 t48 = 1/t12; in pw91c_third() [all …]
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H A D | fun-p86c.c | 418 t48*t49*t6+1.333333333333333*t1*t4*t50*t48*t49*t37*t39; in p86c_second() 429 t48*t49*t39; in p86c_second() 432 t48*t49*t39; in p86c_second() 920 t4*t48*t49*t54*t6-1.0*t1*t33*t39*t4*t48*t49*t6+1.333333333333333* in p86c_third() 982 2.0*t1*t33*t39*t48*t49*t6*grada-1.0*t1*t103*t37*t39*t4*t48* in p86c_third() 992 2.0*t1*t33*t39*t48*t49*t6*gradb-1.0*t1*t111*t37*t39*t4*t48* in p86c_third() 1011 t4*t48*t49*t6-2.0*t1*t33*t39*t48*t49*t6-5.039039717457796E-4* in p86c_third() 1074 t48*t49*t54*t6-0.5*t1*t129*t37*t39*t4*t48*t49*t6-1.0*t1*t33* in p86c_third() 1075 t39*t48*t49*t6-5.039039717457796E-4*t1*t34*t35*t59*t58*t48* in p86c_third() 1102 t37*t39*t4*t48*t49*t6*t90+2.25*t1*t37*t39*t4*t48*t6*t73*t84- in p86c_third() [all …]
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H A D | fun-ft97bx.c | 297 real t43, t44, t45, t46, t47, t48, t49, t50; in ft97bx_third_helper() local 413 t20*t21*t48+1.333333333333333*t1*t10*t11*t48-1.5*t1*t21*t25* in ft97bx_third_helper() 478 real t43, t44, t45, t46, t47, t48, t49, t50; in ft97bx_fourth_helper() local 629 t21*t48+1.333333333333333*t1*t10*t11*t48-1.5*t1*t21*t25*t28* in ft97bx_fourth_helper() 697 t48-3.111111111111111*t1*t10*t26*t48-1.333333333333333*t1* in ft97bx_fourth_helper() 712 t7+576.0*t30*t38*t39*t4*t48*t7-1728.0*t16*t17*t22*t4*t48*t7- in ft97bx_fourth_helper() 719 t48*grada+8.0*t10*t11*t48*grada+6.0*t11*t28*t4*t43*grada-9.0* in ft97bx_fourth_helper() 729 t48-2.25*t1*t19*t21*t25*t28*t48-2.0*t1*t11*t20*t25*t48+3.0* in ft97bx_fourth_helper() 737 t76*t8+54.0*t1*pow(t48,2.0)*t6*t8+216.0*t4*t48*t6*t8+216.0* in ft97bx_fourth_helper() 741 t7-864.0*t30*t32*t4*t44*t48*t7+2160.0*t1*t13*t16*t4*t48*t7+ in ft97bx_fourth_helper() [all …]
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/dports/science/ergo/ergo-3.8/source/dft/ |
H A D | fun-pw91c.c | 250 t48 = 1/t47; in pw91c_first() 383 t48 = 1/t12; in pw91c_second() 468 t48*t53*POW(t64,2.0)*t98-5.312868949232586*t48*t14*t62*t61* in pw91c_second() 495 t48*t14*t53*t70*t98*t64-2.656434474616293*t48*t14*t71*t62* in pw91c_second() 507 t48*t14*t53*t76*t98*t64-2.656434474616293*t48*t14*t77*t62* in pw91c_second() 544 t14*t48*t53*POW(t70,2.0)*t98+2.656434474616293*t14*t48*t56* in pw91c_second() 551 t14*t48*t53*POW(t76,2.0)*t98+2.656434474616293*t14*t48*t56* in pw91c_second() 572 t48*t14*t71*t84*t62+5.312868949232586*t48*t14*t53*t84*t70* in pw91c_second() 579 t48*t14*t77*t84*t62+5.312868949232586*t48*t14*t53*t84*t76* in pw91c_second() 711 t48 = 1/t12; in pw91c_third() [all …]
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H A D | fun-p86c.c | 410 t48*t49*t6+1.333333333333333*t1*t4*t50*t48*t49*t37*t39; in p86c_second() 421 t48*t49*t39; in p86c_second() 424 t48*t49*t39; in p86c_second() 910 t4*t48*t49*t54*t6-1.0*t1*t33*t39*t4*t48*t49*t6+1.333333333333333* in p86c_third() 966 2.0*t1*t33*t39*t48*t49*t6*grada-1.0*t1*t103*t37*t39*t4*t48* in p86c_third() 976 2.0*t1*t33*t39*t48*t49*t6*gradb-1.0*t1*t111*t37*t39*t4*t48* in p86c_third() 995 t4*t48*t49*t6-2.0*t1*t33*t39*t48*t49*t6-5.039039717457796E-4* in p86c_third() 1058 t48*t49*t54*t6-0.5*t1*t129*t37*t39*t4*t48*t49*t6-1.0*t1*t33* in p86c_third() 1059 t39*t48*t49*t6-5.039039717457796E-4*t1*t34*t35*t59*t58*t48* in p86c_third() 1086 t37*t39*t4*t48*t49*t6*t90+2.25*t1*t37*t39*t4*t48*t6*t73*t84- in p86c_third() [all …]
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/dports/science/mpqc/mpqc-2.3.1/src/lib/chemistry/qc/oint3/ |
H A D | i3311AB.cc | 51 double t48; in i3311eAB() local 210 t51=t48*t3; in i3311eAB() 212 t51=t48*t8; in i3311eAB() 216 t8=t48*t31; in i3311eAB() 277 t3=t48*t12; in i3311eAB() 306 t1=t48*t41; in i3311eAB() 310 t1=t48*t36; in i3311eAB() 316 t9=t48*t12; in i3311eAB() 330 t11=t48*t6; in i3311eAB() 337 t3=t48*t12; in i3311eAB() [all …]
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H A D | i0202AB.cc | 51 double t48; in i0202eAB() local 237 t49=t48+t41; in i0202eAB() 240 t48=t41+t47; in i0202eAB() 247 t48=t3*t51; in i0202eAB() 251 t48=t4*t51; in i0202eAB() 252 t50=t4*t48; in i0202eAB() 330 t48=t65*t3; in i0202eAB() 331 t3=t23+t48; in i0202eAB() 343 t48=t1*t12; in i0202eAB() 358 t71=t2+t48; in i0202eAB() [all …]
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H A D | i0212AB.cc | 51 double t48; in i0212eAB() local 229 t49=t48+t41; in i0212eAB() 232 t48=t41+t47; in i0212eAB() 239 t48=t3*t51; in i0212eAB() 243 t48=t4*t51; in i0212eAB() 244 t50=t4*t48; in i0212eAB() 322 t48=t65*t3; in i0212eAB() 323 t3=t23+t48; in i0212eAB() 335 t48=t1*t12; in i0212eAB() 350 t71=t2+t48; in i0212eAB() [all …]
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H A D | i2311AB.cc | 51 double t48; in i2311eAB() local 172 t50=t49+t48; in i2311eAB() 173 t48=t2*t50; in i2311eAB() 174 t49=t2*t48; in i2311eAB() 216 t60=t46*t48; in i2311eAB() 229 t35=t55*t48; in i2311eAB() 230 t48=t14+t35; in i2311eAB() 231 t14=t46*t48; in i2311eAB() 242 t16=t55*t48; in i2311eAB() 248 t48=t15*t35; in i2311eAB() [all …]
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H A D | i1311AB.cc | 51 double t48; in i1311eAB() local 178 t50=t49+t48; in i1311eAB() 179 t48=t2*t50; in i1311eAB() 180 t49=t2*t48; in i1311eAB() 222 t60=t46*t48; in i1311eAB() 235 t35=t55*t48; in i1311eAB() 236 t48=t14+t35; in i1311eAB() 237 t14=t46*t48; in i1311eAB() 248 t16=t55*t48; in i1311eAB() 255 t48=t15*t35; in i1311eAB() [all …]
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H A D | i0311AB.cc | 51 double t48; in i0311eAB() local 178 t50=t49+t48; in i0311eAB() 179 t48=t2*t50; in i0311eAB() 180 t49=t2*t48; in i0311eAB() 222 t60=t46*t48; in i0311eAB() 235 t35=t55*t48; in i0311eAB() 236 t48=t14+t35; in i0311eAB() 237 t14=t46*t48; in i0311eAB() 248 t16=t55*t48; in i0311eAB() 255 t48=t15*t35; in i0311eAB() [all …]
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H A D | i1212AB.cc | 51 double t48; in i1212eAB() local 221 t49=t48+t41; in i1212eAB() 223 t48=t41+t47; in i1212eAB() 229 t48=t3*t51; in i1212eAB() 233 t48=t4*t51; in i1212eAB() 234 t50=t4*t48; in i1212eAB() 309 t48=t65*t3; in i1212eAB() 310 t3=t23+t48; in i1212eAB() 322 t48=t1*t12; in i1212eAB() 337 t71=t2+t48; in i1212eAB() [all …]
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H A D | i0301.cc | 51 double t48; in i0301() local 228 t48=t46+t45; in i0301() 229 t45=t2*t48; in i0301() 339 t72=t56*t48; in i0301() 384 t16=t61*t48; in i0301() 388 t48=t16+t7; in i0301() 416 t48=t6+t16; in i0301() 418 t16=t6+t48; in i0301() 436 t48=t19+t6; in i0301() 478 t21=t3*t48; in i0301() [all …]
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H A D | i1301.cc | 51 double t48; in i1301() local 224 t48=t46+t45; in i1301() 225 t45=t2*t48; in i1301() 334 t72=t56*t48; in i1301() 379 t16=t61*t48; in i1301() 383 t48=t16+t7; in i1301() 411 t48=t6+t16; in i1301() 413 t16=t6+t48; in i1301() 431 t48=t19+t6; in i1301() 473 t21=t3*t48; in i1301() [all …]
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H A D | i1312AB.cc | 51 double t48; in i1312eAB() local 287 t48=t47+t46; in i1312eAB() 288 t46=t1*t48; in i1312eAB() 302 t50=t6*t48; in i1312eAB() 735 t48=t6*t79; in i1312eAB() 877 t71=t12*t48; in i1312eAB() 878 t48=t71+t56; in i1312eAB() 880 t55=t56+t48; in i1312eAB() 896 t48=t3*t80; in i1312eAB() 916 t43=t3*t48; in i1312eAB() [all …]
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H A D | i0312AB.cc | 51 double t48; in i0312eAB() local 287 t48=t47+t46; in i0312eAB() 288 t46=t1*t48; in i0312eAB() 302 t50=t6*t48; in i0312eAB() 735 t48=t6*t79; in i0312eAB() 877 t71=t12*t48; in i0312eAB() 878 t48=t71+t56; in i0312eAB() 880 t55=t56+t48; in i0312eAB() 896 t48=t3*t80; in i0312eAB() 916 t43=t3*t48; in i0312eAB() [all …]
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H A D | i2312AB.cc | 51 double t48; in i2312eAB() local 283 t48=t47+t46; in i2312eAB() 284 t46=t1*t48; in i2312eAB() 297 t50=t6*t48; in i2312eAB() 719 t48=t6*t79; in i2312eAB() 856 t71=t12*t48; in i2312eAB() 857 t48=t71+t56; in i2312eAB() 859 t55=t56+t48; in i2312eAB() 875 t48=t3*t80; in i2312eAB() 895 t43=t3*t48; in i2312eAB() [all …]
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H A D | i2222AB.cc | 51 double t48; in i2222eAB() local 218 t49=t48+t46; in i2222eAB() 220 t48=t46+t45; in i2222eAB() 225 t51=t50+t48; in i2222eAB() 226 t48=t3*t51; in i2222eAB() 228 t18=t3+t48; in i2222eAB() 230 t48=t4*t3; in i2222eAB() 231 t50=t48+t46; in i2222eAB() 234 t48=t13+t46; in i2222eAB() 236 t46=t13+t48; in i2222eAB() [all …]
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H A D | i1302AB.cc | 51 double t48; in i1302eAB() local 300 t48=t47+t46; in i1302eAB() 301 t46=t1*t48; in i1302eAB() 315 t50=t6*t48; in i1302eAB() 748 t48=t6*t79; in i1302eAB() 890 t71=t12*t48; in i1302eAB() 891 t48=t71+t56; in i1302eAB() 909 t48=t3*t80; in i1302eAB() 929 t43=t3*t48; in i1302eAB() 1124 t71=t1*t48; in i1302eAB() [all …]
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H A D | i0302AB.cc | 51 double t48; in i0302eAB() local 300 t48=t47+t46; in i0302eAB() 301 t46=t1*t48; in i0302eAB() 315 t50=t6*t48; in i0302eAB() 748 t48=t6*t79; in i0302eAB() 890 t71=t12*t48; in i0302eAB() 891 t48=t71+t56; in i0302eAB() 909 t48=t3*t80; in i0302eAB() 929 t43=t3*t48; in i0302eAB() 1124 t71=t1*t48; in i0302eAB() [all …]
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H A D | i1222AB.cc | 51 double t48; in i1222eAB() local 202 t48=t47+t22; in i1222eAB() 203 t22=t19*t48; in i1222eAB() 209 t49=t48+t47; in i1222eAB() 211 t48=t21+t47; in i1222eAB() 213 t49=t47+t48; in i1222eAB() 215 t48=t4*t47; in i1222eAB() 216 t50=t48+t46; in i1222eAB() 218 t48=t3*t36; in i1222eAB() 223 t52=t51+t48; in i1222eAB() [all …]
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H A D | i2302AB.cc | 51 double t48; in i2302eAB() local 296 t48=t47+t46; in i2302eAB() 297 t46=t1*t48; in i2302eAB() 310 t50=t6*t48; in i2302eAB() 732 t48=t6*t79; in i2302eAB() 869 t71=t12*t48; in i2302eAB() 870 t48=t71+t56; in i2302eAB() 888 t48=t3*t80; in i2302eAB() 908 t43=t3*t48; in i2302eAB() 1089 t71=t1*t48; in i2302eAB() [all …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwxc/maxima/f77/ |
H A D | nwxcm_c_spbe.F | 266 t49 = 1/t48 2422 4 *t48*t53+2.7242157771351844d-1*t103*t108*t116*t43*t45*t48 2754 2 *t48*t49*t99-2.7242157771351844d-1*t181*t45*t48*t51+8.172 2786 5 116*t48*t51+2.7242157771351844d-1*t105*t107*t116*t45*t48* 2798 1 t48*t53+6.356503479982097d-1*t100*t101*t116*t48*t53-1.113 2974 ? t48*t99-2.7242157771351844d-1*t302*t43*t45*t48*t51+1.9069 3066 4 3*t48*t53+6.356503479982097d-1*t100*t101*t181*t43*t48*t53 3072 : t45*t48+2.7242157771351844d-1*t103*t118*t181*t43*t45*t48- 3115 3 t48*t51-4.4495524359874683d+0*t116*t120*t182*t43*t48*t51+ 3188 8 45*t48*t51+1.906951043994629d+0*t100*t101*t216*t43*t48*t5 [all …]
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwxc/maxima/f77/ |
H A D | nwxcm_c_spbe.F | 266 t49 = 1/t48 2422 4 *t48*t53+2.7242157771351844d-1*t103*t108*t116*t43*t45*t48 2754 2 *t48*t49*t99-2.7242157771351844d-1*t181*t45*t48*t51+8.172 2786 5 116*t48*t51+2.7242157771351844d-1*t105*t107*t116*t45*t48* 2798 1 t48*t53+6.356503479982097d-1*t100*t101*t116*t48*t53-1.113 2974 ? t48*t99-2.7242157771351844d-1*t302*t43*t45*t48*t51+1.9069 3066 4 3*t48*t53+6.356503479982097d-1*t100*t101*t181*t43*t48*t53 3072 : t45*t48+2.7242157771351844d-1*t103*t118*t181*t43*t45*t48- 3115 3 t48*t51-4.4495524359874683d+0*t116*t120*t182*t43*t48*t51+ 3188 8 45*t48*t51+1.906951043994629d+0*t100*t101*t216*t43*t48*t5 [all …]
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/dports/science/libxc/libxc-5.0.0/src/maple2c/lda_exc/ |
H A D | lda_c_gombas.c | 31 double t48, t49, t51, t52, t53, t54, t56; in func_unpol() local 92 t48 = t47 * t23; in func_unpol() 93 t49 = t48 * t2; in func_unpol() 123 t90 = t48 * t14; in func_unpol() 176 double t48, t49, t51, t52, t53, t54, t56; in func_ferr() local 237 t48 = t47 * t23; in func_ferr() 238 t49 = t48 * t2; in func_ferr() 268 t90 = t48 * t14; in func_ferr() 320 double t33, t34, t36, t37, t40, t41, t45, t48; in func_pol() local 386 t49 = t48 * t24; in func_pol() [all …]
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