/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/dft/ |
H A D | fun-1-4.c | 390 t89 = log(t88); in f14_first() 421 t89; in f14_first() 1012 t84*t88*t89*t257*t96+.03950357940513041*t84*t130*t89*t124* in f14_second() 1055 t89*t93*t111*t112*t113-.5848223397455204*t84*t88*t89*t189* in f14_second() 1712 t89*t93*t111*t112*t113-.5848223397455204*t84*t88*t89*t189* in f14_third() 2195 t84*t130*t89*t301*t96+.01975178970256521*t84*t191*t89*t271* in f14_third() 2212 t89*t93*t248*t249*t250-17.31575589937587*t84*t88*t89*t189* in f14_third() 2219 t89*t93*t254*t112*t113-.5848223397455204*t84*t88*t89*t189* in f14_third() 2393 t84*t88*t89*t487*t96+.05925536910769562*t84*t191*t89*t336* in f14_third() 2407 t89*t93*t248*t252*t113+3.508934038473122*t84*t88*t89*t189* in f14_third() [all …]
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H A D | fun-b97-3.c | 402 t89 = log(t88); in b97_3_first() 433 t89; in b97_3_first() 1086 t84*t88*t89*t257*t96+0.03950357940513*t84*t130*t89*t124*t96- in b97_3_second() 1144 t191*t89*t93*t111*t112*t113-0.58482233974552*t84*t130*t89* in b97_3_second() 1206 t84*t88*t89*t286*t96+0.03950357940513*t84*t191*t89*t189*t96- in b97_3_second() 1915 t84*t130*t89*t93*t96+0.03950357940513*t84*t88*t89*t124*t96+ in b97_3_third() 2070 t84*t191*t89*t93*t96+0.03950357940513*t84*t88*t89*t189*t96- in b97_3_third() 2560 t84*t130*t89*t301*t96+0.019751789702565*t84*t191*t89*t271* in b97_3_third() 2577 t89*t93*t248*t249*t250-17.31575589937587*t84*t88*t89*t189* in b97_3_third() 2728 t89*t189*t254*t112*t113-0.58482233974552*t84*t88*t89*t124* in b97_3_third() [all …]
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H A D | fun-b97-k.c | 1241 t1*t2*t3*t89*t65; in b97_k_third() 1374 t1*t2*t3*t89*t65; in b97_k_third() 1909 t89*t163*t95*t96*t76*t97+0.086748647062252*t67*t1*t2*t3*t89* in b97_k_third() 1982 t89*t163*t95*t96*t76*t97+0.043374323531126*t67*t1*t2*t3*t89* in b97_k_third() 2536 t1*t2*t3*t89*t65; in b97_k_fourth() 2669 t1*t2*t3*t89*t65; in b97_k_fourth() 4245 t89*t268*t95*t96*t76*t97+0.043374323531126*t67*t1*t2*t3*t89* in b97_k_fourth() 4328 t89*t268*t161*t79-0.00146492440294*t67*t1*t2*t3*t89*t247*t161* in b97_k_fourth() 4397 t1*t2*t3*t89*t304*t76*t79-0.005859697611761*t67*t1*t2*t3*t89* in b97_k_fourth() 4409 t3*t89*t163*t161*t79-0.005859697611761*t67*t1*t2*t3*t89*t114* in b97_k_fourth() [all …]
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H A D | fun-b97.c | 1913 t89*t163*t95*t96*t76*t97+.0867486470622522*t67*t1*t2*t3*t89* in b97_third() 1985 t89*t163*t95*t96*t76*t97+.0433743235311261*t67*t1*t2*t3*t89* in b97_third() 3076 t89*t247*t76*t79-.0021973866044104*t67*t1*t2*t3*t89*t71*t237* in b97_fourth() 3357 t89*t304*t76*t79-.0021973866044104*t67*t1*t2*t3*t89*t71*t299* in b97_fourth() 4247 t89*t268*t95*t96*t76*t97+.0433743235311261*t67*t1*t2*t3*t89* in b97_fourth() 4312 t89*t481*t76*t79-.0014649244029403*t67*t1*t2*t3*t89*t465*t76* in b97_fourth() 4330 t3*t89*t268*t161*t79-.0014649244029403*t67*t1*t2*t3*t89*t247* in b97_fourth() 4400 t3*t89*t268*t76*t79-.0014649244029403*t67*t1*t2*t3*t89*t247* in b97_fourth() 4411 t3*t89*t163*t161*t79-0.005859697611761*t67*t1*t2*t3*t89*t114* in b97_fourth() 4543 t1*t2*t3*t89*t527*t76*t79-.0021973866044104*t67*t1*t2*t3*t89* in b97_fourth() [all …]
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H A D | fun-b97-2.c | 1242 t1*t2*t3*t89*t65; in b97_2_third() 1913 t89*t163*t95*t96*t76*t97+.0867486470622522*t67*t1*t2*t3*t89* in b97_2_third() 1987 t89*t163*t95*t96*t76*t97+.0433743235311261*t67*t1*t2*t3*t89* in b97_2_third() 3081 t89*t247*t76*t79-.0021973866044104*t67*t1*t2*t3*t89*t71*t237* in b97_2_fourth() 3363 t89*t304*t76*t79-.0021973866044104*t67*t1*t2*t3*t89*t71*t299* in b97_2_fourth() 4254 t89*t268*t95*t96*t76*t97+.0433743235311261*t67*t1*t2*t3*t89* in b97_2_fourth() 4319 t89*t481*t76*t79-.0014649244029403*t67*t1*t2*t3*t89*t465*t76* in b97_2_fourth() 4337 t3*t89*t268*t161*t79-.0014649244029403*t67*t1*t2*t3*t89*t247* in b97_2_fourth() 4407 t3*t89*t268*t76*t79-.0014649244029403*t67*t1*t2*t3*t89*t247* in b97_2_fourth() 4418 t3*t89*t163*t161*t79-0.005859697611761*t67*t1*t2*t3*t89*t114* in b97_2_fourth() [all …]
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H A D | fun-b97-1.c | 1244 t1*t2*t3*t89*t65; in b97_1_third() 1915 t89*t163*t95*t96*t76*t97+.0867486470622522*t67*t1*t2*t3*t89* in b97_1_third() 1989 t89*t163*t95*t96*t76*t97+.0433743235311261*t67*t1*t2*t3*t89* in b97_1_third() 3086 t89*t247*t76*t79-.0021973866044104*t67*t1*t2*t3*t89*t71*t237* in b97_1_fourth() 3369 t89*t304*t76*t79-.0021973866044104*t67*t1*t2*t3*t89*t71*t299* in b97_1_fourth() 4262 t89*t268*t95*t96*t76*t97+.0433743235311261*t67*t1*t2*t3*t89* in b97_1_fourth() 4327 t89*t481*t76*t79-.0014649244029403*t67*t1*t2*t3*t89*t465*t76* in b97_1_fourth() 4345 t3*t89*t268*t161*t79-.0014649244029403*t67*t1*t2*t3*t89*t247* in b97_1_fourth() 4415 t3*t89*t268*t76*t79-.0014649244029403*t67*t1*t2*t3*t89*t247* in b97_1_fourth() 4426 t3*t89*t163*t161*t79-0.005859697611761*t67*t1*t2*t3*t89*t114* in b97_1_fourth() [all …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwxc/maxima/f77/ |
H A D | nwxcm_x_wpbe.F | 2238 < t15*t87*t89+t15*t24*t89-t15*t16*t86*t87-gammaaa*t135*t15* 2263 5 t87*t89+3.2910615692041123d-2*t15*t24*t51*t89+3.291061569 4011 2 7*t88*t89-1.6455307846020562d-2*gammaaa*t138*t16*t88*t89+ 4058 2 t89-1.386889720606205d-1*t137*t16*t17*t89-1.3868897206062 4083 4 0*gammaaa*t17*t78*t88*t89-gammaaa*t16*t17*t180*t89+gammaa 4166 < 7*t16*t89*t91+t16*t25*t91-t16*t17*t88*t89-gammaaa*t138*t1 4167 = 6*t88*t89+2.6666666666666666d+0*gammaaa*t137*t17*t78*t89- 4271 = 211d-2*t123*(-gammaaa*t16*t17*t241*t89-2*t137*t16*t17*t89 4654 2 7*t88*t89-1.6455307846020562d-2*gammabb*t138*t16*t88*t89+ 11837 1 t89 [all …]
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H A D | nwxcm_c_hcth.F | 1732 2 46*t89*t91*t93-2.4300000000000005d-10*t46*t88*t89*t90+3.2 1993 9 mmaaa*t140*t85*t89*t91+6.48d-10*t141*t88*t89*t90-7.776000 2041 9 mmabb*t211*t85*t89*t91+6.48d-10*t212*t88*t89*t90-7.776000 3646 2 46*t89*t91*t93-2.4300000000000005d-10*t46*t88*t89*t90+3.2 3811 5 4*t89*t91*t93-1.0368000000000001d-8*t13*t253*t88*t89*t93+ 3927 5 1*t89*t91*t93-1.0368000000000001d-8*t350*t53*t88*t89*t93+ 4012 3 91*t92+1.62d-7*t15*t85*t89*t91+2.916d-12*t15*t204*t89*t90 4033 3 91*t92+1.62d-7*t55*t85*t89*t91+2.916d-12*t204*t55*t89*t90 4356 2 *t413*t89*t91*t93-4.9766400000000005d-10*t204*t411*t89*t9 4361 7 *t92-3.072d-6*t411*t89*t9*t91-1.2672d-5*t13*t412*t85*t89* [all …]
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H A D | nwxcm_x_m11.F | 924 1 *t46*t90-4.0d+0*t16*t46*t89-4.0d+0*t43*t45*t89-6.0d+0*t43 982 ; 05*t126*t89-4.0d+0*t124*t125*t89-6.0d+0*t124*t125*t88-6.0 2047 < +4*t21*t4*t78*t89-1.1141288576844789d+2*t17*t6*t77*t89-5. 2152 5 d+4*t20*t21*t4*t89-5.585774001863949d+4*t13*t21*t4*t89+1. 2309 7 2*t21*t53*t89+9.68d+2*t21*t52*t89+8.0d+0*t46*t62+8.0d+0*t 2320 2 d-1*t12*t3*t4*(4.4d+2*t20*t21*t89+9.68d+2*t13*t21*t89+8.0 2547 3 *t46*t89*t9-4.5577998723455965d+1*t41*t43*t89*t9+6.077066 2678 1 -4.0d+0*t44*t46*t90-6.0d+0*t44*t46*t89-6.0d+0*t41*t43*t89 2814 : +1*t44*t46*t6*t89-3.038533248230397d+1*t41*t43*t6*t89-4.1 2816 < 17*t4*t44*t89+2.769805290180471d+3*t38*t4*t43*t89+4.05137 [all …]
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H A D | nwxcm_c_m11.F | 1398 4 *t48*t49*t50*t8*t89+9.570780000627304d+0*t10*t48*t49*t89+ 1509 2 0*t8*t90-t10*t90+t10*t8*(-t50*t8*t89-t10*t89+t10*t8*(-t50 2347 1 6*t89+3.109069086965489d-2*t1*t156*t176*t58*t89+1.0d+0*t1 2350 1 6*t89+3.109069086965489d-2*t1*t156*t189*t58*t89+1.0d+0*t1 2381 7 t76*t89-3.109069086965489d-2*t1*t176**2*t262*t58*t89+1.86 2415 > 58*t89+3.109069086965489d-2*t176*t58*t89+3.10906908696548 2419 2 76*t89+1.8654414521792934d-1*t1*t159*t183*t57*t76*t89-3.1 2448 7 *t76*t89-3.109069086965489d-2*t1*t189**2*t262*t58*t89+1.8 2494 5 t89*wght-3.109069086965489d-2*t1*t195**2*t262*t58*t89*wgh 4133 t283 = -t50*t8*t89-t10*t89-4.785390000313652d+0*t129*t48*t49 [all …]
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H A D | nwxcm_c_vwn2.F | 1070 t89 = t70-9.26825237694284d-1*t63*t64 1182 t170 = t89**2 1498 t117 = t89**2 1779 t117 = t89**2 2420 t89 = t70-9.26825237694284d-1*t63*t64 2535 t173 = t89**2 2756 t292 = t89**3 3234 t117 = t89**2 3388 t174 = t89**3 3786 t117 = t89**2 [all …]
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwxc/maxima/f77/ |
H A D | nwxcm_x_wpbe.F | 2238 < t15*t87*t89+t15*t24*t89-t15*t16*t86*t87-gammaaa*t135*t15* 2263 5 t87*t89+3.2910615692041123d-2*t15*t24*t51*t89+3.291061569 4011 2 7*t88*t89-1.6455307846020562d-2*gammaaa*t138*t16*t88*t89+ 4058 2 t89-1.386889720606205d-1*t137*t16*t17*t89-1.3868897206062 4083 4 0*gammaaa*t17*t78*t88*t89-gammaaa*t16*t17*t180*t89+gammaa 4166 < 7*t16*t89*t91+t16*t25*t91-t16*t17*t88*t89-gammaaa*t138*t1 4167 = 6*t88*t89+2.6666666666666666d+0*gammaaa*t137*t17*t78*t89- 4271 = 211d-2*t123*(-gammaaa*t16*t17*t241*t89-2*t137*t16*t17*t89 4654 2 7*t88*t89-1.6455307846020562d-2*gammabb*t138*t16*t88*t89+ 11837 1 t89 [all …]
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H A D | nwxcm_c_hcth.F | 1732 2 46*t89*t91*t93-2.4300000000000005d-10*t46*t88*t89*t90+3.2 1993 9 mmaaa*t140*t85*t89*t91+6.48d-10*t141*t88*t89*t90-7.776000 2041 9 mmabb*t211*t85*t89*t91+6.48d-10*t212*t88*t89*t90-7.776000 3646 2 46*t89*t91*t93-2.4300000000000005d-10*t46*t88*t89*t90+3.2 3811 5 4*t89*t91*t93-1.0368000000000001d-8*t13*t253*t88*t89*t93+ 3927 5 1*t89*t91*t93-1.0368000000000001d-8*t350*t53*t88*t89*t93+ 4012 3 91*t92+1.62d-7*t15*t85*t89*t91+2.916d-12*t15*t204*t89*t90 4033 3 91*t92+1.62d-7*t55*t85*t89*t91+2.916d-12*t204*t55*t89*t90 4356 2 *t413*t89*t91*t93-4.9766400000000005d-10*t204*t411*t89*t9 4361 7 *t92-3.072d-6*t411*t89*t9*t91-1.2672d-5*t13*t412*t85*t89* [all …]
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H A D | nwxcm_x_m11.F | 924 1 *t46*t90-4.0d+0*t16*t46*t89-4.0d+0*t43*t45*t89-6.0d+0*t43 982 ; 05*t126*t89-4.0d+0*t124*t125*t89-6.0d+0*t124*t125*t88-6.0 2047 < +4*t21*t4*t78*t89-1.1141288576844789d+2*t17*t6*t77*t89-5. 2152 5 d+4*t20*t21*t4*t89-5.585774001863949d+4*t13*t21*t4*t89+1. 2309 7 2*t21*t53*t89+9.68d+2*t21*t52*t89+8.0d+0*t46*t62+8.0d+0*t 2320 2 d-1*t12*t3*t4*(4.4d+2*t20*t21*t89+9.68d+2*t13*t21*t89+8.0 2547 3 *t46*t89*t9-4.5577998723455965d+1*t41*t43*t89*t9+6.077066 2678 1 -4.0d+0*t44*t46*t90-6.0d+0*t44*t46*t89-6.0d+0*t41*t43*t89 2814 : +1*t44*t46*t6*t89-3.038533248230397d+1*t41*t43*t6*t89-4.1 2816 < 17*t4*t44*t89+2.769805290180471d+3*t38*t4*t43*t89+4.05137 [all …]
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H A D | nwxcm_c_m11.F | 1398 4 *t48*t49*t50*t8*t89+9.570780000627304d+0*t10*t48*t49*t89+ 1509 2 0*t8*t90-t10*t90+t10*t8*(-t50*t8*t89-t10*t89+t10*t8*(-t50 2347 1 6*t89+3.109069086965489d-2*t1*t156*t176*t58*t89+1.0d+0*t1 2350 1 6*t89+3.109069086965489d-2*t1*t156*t189*t58*t89+1.0d+0*t1 2381 7 t76*t89-3.109069086965489d-2*t1*t176**2*t262*t58*t89+1.86 2415 > 58*t89+3.109069086965489d-2*t176*t58*t89+3.10906908696548 2419 2 76*t89+1.8654414521792934d-1*t1*t159*t183*t57*t76*t89-3.1 2448 7 *t76*t89-3.109069086965489d-2*t1*t189**2*t262*t58*t89+1.8 2494 5 t89*wght-3.109069086965489d-2*t1*t195**2*t262*t58*t89*wgh 4133 t283 = -t50*t8*t89-t10*t89-4.785390000313652d+0*t129*t48*t49 [all …]
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H A D | nwxcm_c_vwn2.F | 1070 t89 = t70-9.26825237694284d-1*t63*t64 1182 t170 = t89**2 1498 t117 = t89**2 1779 t117 = t89**2 2420 t89 = t70-9.26825237694284d-1*t63*t64 2535 t173 = t89**2 2756 t292 = t89**3 3234 t117 = t89**2 3388 t174 = t89**3 3786 t117 = t89**2 [all …]
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/dports/science/libxc/libxc-5.0.0/src/maple2c/lda_exc/ |
H A D | lda_c_1d_loos.c | 106 t89 = 0.1e1 / t4 / t3; in func_unpol() 111 t110 = t89 * t109; in func_unpol() 112 t113 = t22 * t89; in func_unpol() 113 t120 = t89 * t101; in func_unpol() 140 t228 = t45 * t89; in func_unpol() 141 t235 = t89 * t192; in func_unpol() 285 t110 = t89 * t109; in func_ferr() 286 t113 = t22 * t89; in func_ferr() 287 t120 = t89 * t101; in func_ferr() 314 t228 = t45 * t89; in func_ferr() [all …]
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H A D | lda_k_zlp.c | 33 double t61, t75, t84, t86, t89; in func_unpol() local 271 double t89, t90, t92, t95, t96, t99, t102, t103; in func_pol() local 377 t89 = 0.1e1 / t88; in func_pol() 378 t90 = t9 * t89; in func_pol() 400 …/ 0.9e1 * t130 * t42 + 0.5e1 / 0.3e1 * t133 * t89 + 0.5e1 / 0.9e1 * t136 * t44 - 0.5e1 / 0.3e1 * t… in func_pol() 437 t206 = 0.6e1 * t89 - 0.6e1 * t204; in func_pol() 461 …t89 * t42 + 0.5e1 / 0.9e1 * t130 * t92 + 0.5e1 / 0.3e1 * t15 * t89 - 0.5e1 * t133 * t203 - 0.5e1 /… in func_pol() 473 t317 = -0.2e1 * t89 - 0.6e1 * t204; in func_pol() 485 t350 = -0.6e1 * t89 - 0.6e1 * t204; in func_pol() 538 …t89 * t85 + 0.10e2 / 0.3e1 * t84 * t89 * t42 + 0.10e2 / 0.3e1 * t265 * t89 * t92 + t521 + 0.20e2 /… in func_pol() [all …]
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/dports/science/libxc/libxc-5.0.0/src/maple2c/lda_vxc/ |
H A D | lda_xc_tih.c | 32 double t81, t85, t89, t93, t97, t101, t105, t109; in func_unpol() local 93 t89 = t58 * t58; in func_unpol() 100 …765250748e0 * t85 - 0.12729964897488904e0 * t35 * t54 + 0.101303387052e0 * t89 - 0.791862237704850… in func_unpol() 133 double t81, t85, t89, t93, t97, t101, t105, t109; in func_ferr() local 194 t89 = t58 * t58; in func_ferr() 201 …765250748e0 * t85 - 0.12729964897488904e0 * t35 * t54 + 0.101303387052e0 * t89 - 0.791862237704850… in func_ferr() 234 double t89, t93, t97, t101, t105, t109, t113, t117; in func_pol() local 311 t89 = t58 * t58; in func_pol() 320 …v4rho4[0] = 0.87280161878e-1 * t89 - 0.58440876229947484e-2 * t41 * t58 + 0.41765250748e0 * t93 - … in func_pol()
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/dports/science/mpqc/mpqc-2.3.1/src/lib/chemistry/qc/oint3/ |
H A D | i2323AB.cc | 92 double t89; in i2323eAB() local 514 t89=t64*t15; in i2323eAB() 516 t91=t90+t89; in i2323eAB() 517 t89=t4*t91; in i2323eAB() 518 t90=t89+t85; in i2323eAB() 519 t89=t6*t90; in i2323eAB() 520 t92=t89+t88; in i2323eAB() 522 t89=t12*t87; in i2323eAB() 523 t93=t89+t88; in i2323eAB() 1609 t14=t1*t89; in i2323eAB() [all …]
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H A D | i1323AB.cc | 92 double t89; in i1323eAB() local 521 t89=t64*t15; in i1323eAB() 523 t91=t90+t89; in i1323eAB() 524 t89=t4*t91; in i1323eAB() 525 t90=t89+t85; in i1323eAB() 527 t89=t6*t90; in i1323eAB() 528 t92=t89+t88; in i1323eAB() 530 t89=t12*t87; in i1323eAB() 531 t93=t89+t88; in i1323eAB() 1646 t14=t1*t89; in i1323eAB() [all …]
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H A D | i3312AB.cc | 92 double t89; in i3312eAB() local 340 t90=t89+t88; in i3312eAB() 342 t89=t32+t88; in i3312eAB() 344 t90=t88+t89; in i3312eAB() 346 t89=t1*t88; in i3312eAB() 347 t91=t89+t87; in i3312eAB() 348 t89=t1*t91; in i3312eAB() 349 t92=t89+t86; in i3312eAB() 352 t89=t31*t60; in i3312eAB() 353 t93=t89+t86; in i3312eAB() [all …]
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H A D | i0323AB.cc | 92 double t89; in i0323eAB() local 522 t89=t64*t15; in i0323eAB() 524 t91=t90+t89; in i0323eAB() 525 t89=t4*t91; in i0323eAB() 526 t90=t89+t85; in i0323eAB() 528 t89=t6*t90; in i0323eAB() 529 t92=t89+t88; in i0323eAB() 531 t89=t12*t87; in i0323eAB() 532 t93=t89+t88; in i0323eAB() 1647 t14=t1*t89; in i0323eAB() [all …]
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H A D | i3302AB.cc | 92 double t89; in i3302eAB() local 340 t90=t89+t88; in i3302eAB() 342 t89=t32+t88; in i3302eAB() 344 t90=t88+t89; in i3302eAB() 346 t89=t1*t88; in i3302eAB() 347 t91=t89+t87; in i3302eAB() 348 t89=t1*t91; in i3302eAB() 349 t92=t89+t86; in i3302eAB() 352 t89=t31*t60; in i3302eAB() 353 t93=t89+t86; in i3302eAB() [all …]
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H A D | i1312AB.cc | 92 double t89; in i1312eAB() local 381 t89=t87+t78; in i1312eAB() 396 t95=t92+t89; in i1312eAB() 398 t89=t28*t68; in i1312eAB() 400 t96=t92+t89; in i1312eAB() 401 t89=t1*t96; in i1312eAB() 402 t92=t19*t89; in i1312eAB() 528 t130=t6*t89; in i1312eAB() 1166 t153=t1*t89; in i1312eAB() 1207 t89=t3*t92; in i1312eAB() [all …]
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