| /dports/science/mpqc/mpqc-2.3.1/src/lib/chemistry/qc/oint3/ |
| H A D | i1333AB.cc | 157 double t154; in i1333eAB() local
648 t154=t112+t149; in i1333eAB()
658 t157=t117+t154; in i1333eAB()
660 t154=t12*t152; in i1333eAB()
661 t158=t154+t117; in i1333eAB()
1212 t104=t159+t154; in i1333eAB()
1545 t47=t154+t7; in i1333eAB()
1761 t154=t64*t80; in i1333eAB()
1762 t80=t130+t154; in i1333eAB()
1775 t154=t30*t158; in i1333eAB()
[all …]
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| H A D | i2333AB.cc | 157 double t154; in i2333eAB() local
640 t154=t112+t149; in i2333eAB()
649 t157=t117+t154; in i2333eAB()
651 t154=t12*t152; in i2333eAB()
652 t158=t154+t117; in i2333eAB()
1193 t104=t159+t154; in i2333eAB()
1512 t47=t154+t7; in i2333eAB()
1728 t154=t64*t80; in i2333eAB()
1729 t80=t130+t154; in i2333eAB()
1742 t154=t30*t158; in i2333eAB()
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| H A D | i0313AB.cc | 157 double t154; in i0313eAB() local
750 t154=t112+t149; in i0313eAB()
760 t157=t117+t154; in i0313eAB()
762 t154=t12*t152; in i0313eAB()
763 t158=t154+t117; in i0313eAB()
1654 t47=t154+t7; in i0313eAB()
1800 t148=t1*t154; in i0313eAB()
1870 t263=t9*t154; in i0313eAB()
2234 t281=t4*t154; in i0313eAB()
2258 t195=t49+t154; in i0313eAB()
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| H A D | i1313AB.cc | 157 double t154; in i1313eAB() local
750 t154=t112+t149; in i1313eAB()
760 t157=t117+t154; in i1313eAB()
762 t154=t12*t152; in i1313eAB()
763 t158=t154+t117; in i1313eAB()
1654 t47=t154+t7; in i1313eAB()
1800 t148=t1*t154; in i1313eAB()
1870 t263=t9*t154; in i1313eAB()
2234 t281=t4*t154; in i1313eAB()
2258 t195=t49+t154; in i1313eAB()
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| H A D | i0303.cc | 157 double t154; in i0303() local
821 t154=t53*t156; in i0303()
836 t154=t4*t153; in i0303()
839 t154=t6*t162; in i0303()
841 t154=t1*t157; in i0303()
863 t154=t8*t166; in i0303()
865 t154=t1*t161; in i0303()
871 t154=t45*t94; in i0303()
2860 t154=t3+t15; in i0303()
2862 t3=t5*t154; in i0303()
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| H A D | i1313.cc | 157 double t154; in i1313() local
800 t152=t51*t154; in i1313()
917 t20=t86*t154; in i1313()
1093 t225=t13*t154; in i1313()
1101 t225=t44*t154; in i1313()
1721 t239=t6*t154; in i1313()
2548 t56=t43*t154; in i1313()
2608 t215=t9*t154; in i1313()
3550 t154=t53+t2; in i1313()
3677 t2=t8*t154; in i1313()
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| H A D | i0313.cc | 157 double t154; in i0313() local
812 t152=t51*t154; in i0313()
929 t20=t86*t154; in i0313()
1110 t226=t13*t154; in i0313()
1119 t226=t44*t154; in i0313()
1744 t240=t6*t154; in i0313()
2573 t56=t43*t154; in i0313()
2633 t216=t9*t154; in i0313()
3575 t154=t53+t2; in i0313()
3702 t2=t8*t154; in i0313()
[all …]
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| /dports/science/libxc/libxc-5.0.0/src/maple2c/lda_exc/ |
| H A D | lda_x_2d.c | 188 double t151, t152, t154, t155, t158, t168, t171, t182; in func_pol() local
317 t154 = 0.4e1 * t74 * t90; in func_pol()
324 v3rho3[1] = -0.2e1 * t112 - 0.2e1 * t115 + t120 - t152 - t154 - 0.4e1 / 0.3e1 * t23 * t182; in func_pol()
335 v3rho3[2] = -0.2e1 * t152 - t154 - t115 + t120 - 0.2e1 * t186 - 0.4e1 / 0.3e1 * t23 * t213; in func_pol()
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| H A D | lda_xc_teter93.c | 348 double t141, t142, t144, t146, t147, t153, t154; in func_pol() local
503 t154 = t110 * t153; in func_pol()
505 vrho[1] = t108 * t154 - t147 * t74 + (-t48 * t74); in func_pol()
578 …v2rho2[1] = t106 * t154 - 0.2e1 * t108 * t282 + t108 * t297 + t147 * t128 - t276 * t74 - t156 + t1… in func_pol()
596 …v2rho2[2] = -0.2e1 * t108 * t334 + t108 * t345 + 0.2e1 * t147 * t154 - t329 * t74 - 0.2e1 * t242 +… in func_pol()
694 …* t542 + 0.2e1 * t276 * t128 - 0.2e1 * t147 * t216 + t147 * t240 + t209 * t154 - t570 * t74 - t347… in func_pol()
725 … t329 * t128 - 0.4e1 * t147 * t282 + 0.2e1 * t147 * t297 + 0.2e1 * t276 * t154 - t625 * t74 - t468… in func_pol()
744 … t108 * t735 - 0.6e1 * t147 * t334 + 0.3e1 * t147 * t345 + 0.3e1 * t329 * t154 - t709 * t74 - 0.3e… in func_pol()
887 …t214 * t1282 + 0.2e1 * t625 * t128 - 0.8e1 * t147 * t539 + 0.2e1 * t570 * t154 + t329 * t240 - 0.8… in func_pol()
915 … 0.3e1 * t329 * t297 - 0.6e1 * t276 * t334 + t709 * t128 + 0.3e1 * t625 * t154 - 0.6e1 * t1459 - 0… in func_pol()
[all …]
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| H A D | lda_c_pw.c | 39 double t152, t153, t154, t157, t158, t165, t166, t170; in func_unpol() local
159 t154 = t152 * t153; in func_unpol()
262 double t152, t153, t154, t157, t158, t165, t166, t170; in func_ferr() local
382 t154 = t152 * t153; in func_ferr()
483 double t153, t154, t159, t161, t167, t168, t169, t170; in func_pol() local
724 t154 = t9 * t143; in func_pol()
727 …t167 = -t153 * t154 / 0.12e2 - t27 * t154 / 0.12e2 - 0.62500000000000000000e-1 * t161 * t154 - t39… in func_pol()
753 …t213 = -t201 * t154 / 0.12e2 - t81 * t154 / 0.12e2 - 0.62500000000000000000e-1 * t207 * t154 - t91… in func_pol()
764 …t239 = -t227 * t154 / 0.12e2 - t111 * t154 / 0.12e2 - 0.62500000000000000000e-1 * t233 * t154 - t1… in func_pol()
1182 t916 = t101 * t154; in func_pol()
[all …]
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| H A D | lda_c_rc04.c | 269 double t152, t154, t158, t160, t164, t168, t171, t174; in func_pol() local
427 t154 = t41 * t19 * t152; in func_pol()
429 …e1 * t130 + 0.2e1 * t133 * t135 + 0.20837169031159999999e1 * t138 + t40 * t154 + 0.208371690311599… in func_pol()
515 t325 = 0.8e1 / 0.3e1 * t129 * t154; in func_pol()
630 t657 = t289 * t154; in func_pol()
640 …t732 = -t506 + 0.8e1 / 0.3e1 * t552 - 0.8e1 / 0.9e1 * t556 + t658 + 0.6e1 * t297 * t154 - 0.116845… in func_pol()
684 …4e1 * t805 + 0.8e1 / 0.3e1 * t867 + 0.4e1 / 0.3e1 * t874 + 0.6e1 * t939 * t154 + t40 * t41 * t19 *… in func_pol()
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| H A D | lda_c_vwn_3.c | 729 double t145, t146, t150, t151, t152, t153, t154, t155; in func_pol() local
1104 t154 = t4 * t146; in func_pol()
1105 t155 = t154 / 0.12e2; in func_pol()
1128 t192 = -t187 * t154 / 0.6e1 - t190 * t162; in func_pol()
1147 t231 = -t226 * t154 / 0.6e1 - t229 * t204; in func_pol()
1173 t279 = -t274 * t154 / 0.6e1 - t277 * t252; in func_pol()
1190 t318 = -t313 * t154 / 0.6e1 - t316 * t291; in func_pol()
1212 t362 = -t357 * t154 / 0.6e1 - t360 * t335; in func_pol()
1445 t769 = t768 * t154; in func_pol()
1917 t1542 = t1541 * t154; in func_pol()
[all …]
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| H A D | lda_c_gk72.c | 367 double t135, t136, t139, t140, t151, t152, t153, t154; in func_pol() local
476 t154 = t2 * t153; in func_pol()
482 …t154 - 0.35333333333333333332e2 * t108 * t159 + 0.32977777777777777777e2 * t69 * t162 - 0.14518518… in func_pol()
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| H A D | lda_x_sloc.c | 235 double t147, t149, t150, t151, t153, t154, t156, t161; in func_pol() local
391 t154 = t151 * t153; in func_pol()
403 …t190 = t22 * t165 * t27 + t30 * t183 * t32 + t150 * t154 + 0.2e1 * t22 * t154 - 0.3e1 * t62 * t154… in func_pol()
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| /dports/science/libxc/libxc-5.0.0/src/maple2c/gga_exc/ |
| H A D | gga_x_b86.c | 166 t154 = 0.1e1 / t14 / rho[0]; in func_unpol()
167 t155 = t9 * t154; in func_unpol()
969 t370 = t7 * t17 * t154; in func_pol()
971 t373 = t154 * t63; in func_pol()
991 t406 = t372 * t154 * t109; in func_pol()
1285 t908 = t154 * t176; in func_pol()
1287 t915 = t154 * t191; in func_pol()
1317 t973 = t174 * t154; in func_pol()
1322 t984 = t372 * t154 * t8; in func_pol()
1338 t1006 = t261 * t154 * t310; in func_pol()
[all …]
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| H A D | gga_x_2d_b88.c | 305 double t137, t138, t142, t146, t150, t151, t154, t155; in func_ferr() local
421 …t154 = -0.14000000000000000000e-1 * t142 * t11 * t13 + 0.14000000000000000000e-1 * t146 * t7 * t39… in func_ferr()
422 t155 = t31 * t154; in func_ferr()
470 t285 = t78 * t154; in func_ferr()
482 t316 = t114 * t154; in func_ferr()
487 …t337 = 0.27916148151761877430e-1 * t223 * t137 - 0.13958074075880938715e-1 * t109 * t154 - 0.27916… in func_ferr()
522 t608 = t57 * t154; in func_ferr()
528 t657 = t154 * t154; in func_ferr()
571 double t143, t144, t147, t153, t154, t157, t163, t169; in func_pol() local
798 t154 = t78 * t153; in func_pol()
[all …]
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| H A D | gga_k_thakkar.c | 375 double t136, t137, t140, t141, t142, t145, t149, t154; in func_ferr() local
499 t154 = t11 * t45; in func_ferr()
705 double t144, t146, t147, t148, t150, t151, t152, t154; in func_pol() local
939 t154 = 0.1e1 / t55 / t152; in func_pol()
940 t155 = sigma[2] * t154; in func_pol()
1152 …t531 = -0.16866666666666666667e-1 * t521 * t63 - 0.50600000000000000000e-1 * t154 * t167 + 0.16866… in func_pol()
1157 …t154 * t67 - 0.55e-2 * t512 * t170 + 0.14666666666666666667e-1 * t155 * t220 + 0.110e-1 * t58 * t5… in func_pol()
1494 t1208 = t154 * t159; in func_pol()
1575 t1359 = t594 * t154; in func_pol()
1915 t2893 = t154 * t405; in func_pol()
[all …]
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| H A D | gga_x_lsrpbe.c | 36 double t138, t140, t148, t149, t154, t157, t158, t160; in func_unpol() local
155 v2rhosigma[0] = -t129 * t77 / 0.4e1 - 0.3e1 / 0.16e2 * t48 * t154; in func_unpol()
199 v3rho2sigma[0] = -t232 * t77 / 0.12e2 - t129 * t154 / 0.2e1 - 0.3e1 / 0.16e2 * t48 * t263; in func_unpol()
526 double t147, t148, t152, t153, t154, t155, t161, t165; in func_pol() local
739 t154 = t6 * t15; in func_pol()
743 vsigma[0] = -0.3e1 / 0.8e1 * t153 * t154 * t161; in func_pol()
894 v2rhosigma[0] = -t379 / 0.2e1 - t153 * t381 * t382 / 0.2e1 - 0.3e1 / 0.8e1 * t153 * t154 * t405; in func_pol()
926 t459 = t154 * t458; in func_pol()
1261 t1095 = t154 * t1094; in func_pol()
1309 t1143 = t154 * t1142; in func_pol()
[all …]
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwxc/maxima/f77/ |
| H A D | nwxcm_c_p91.F | 1109 t154 = t1**3.333333333333335d-1
1116 t161 = 1.398222758520205d+0*t10*t134*t14*t154*t51
1187 t198 = 7.979701560995311d-1*t114*t154*t197*t54*t56
2833 t160 = -3.4242190004576445d-1*t10*t12*t15*t154*t51
3186 t343 = 3.08179710041188d+0*t10*t12*t154*t51*t54*t72
3356 t443 = 7.98984433440117d-1*t10*t15*t154*t51*t73*t74
3411 1 t154*t48-4.851313814107646d+2*t117*t128*t142
3565 t576 = -3.4242190004576445d-1*t12*t15*t154*t51
3628 t597 = -6.848438000915289d-1*t12*t15*t154*t51
4814 t154 = 1/t4**7
[all …]
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| H A D | nwxcm_c_b95.F | 1031 t154 = 1/rhoa**3.3333333333333337d+0
1163 1 10461360746d-1*t127*t154*t19*t66*t69-1.0d+0*t1*t126*t2*t6
1256 1 940410461360746d-1*t127*t154*t66*t69*t83+7.31347015378691
1299 1 -1*t127*t154*t19*t66*wght
2229 t154 = 1/t71**3
2689 2 gammabb*t154*t155*t33*t66*t74+2.742551307670093d-2*gammab
2696 Cmat(iq,D1_GBB) = (-2.1940410461360746d-1*t154*t157*t33*t66*
2719 2 d+0*gammabb*t154*t320*t33*t66*t74+1.1701552246059063d+0*g
2720 3 ammabb*t141*t154*t155*t66*t74+4.680620898423625d+0*t259*t
2769 2 mabb*t154*t155*t33*t66)*wght+Mmat2(iq,D2_RB_TB)
[all …]
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/nwxc/maxima/f77/ |
| H A D | nwxcm_c_p91.F | 1109 t154 = t1**3.333333333333335d-1
1116 t161 = 1.398222758520205d+0*t10*t134*t14*t154*t51
1187 t198 = 7.979701560995311d-1*t114*t154*t197*t54*t56
2833 t160 = -3.4242190004576445d-1*t10*t12*t15*t154*t51
3186 t343 = 3.08179710041188d+0*t10*t12*t154*t51*t54*t72
3356 t443 = 7.98984433440117d-1*t10*t15*t154*t51*t73*t74
3411 1 t154*t48-4.851313814107646d+2*t117*t128*t142
3565 t576 = -3.4242190004576445d-1*t12*t15*t154*t51
3628 t597 = -6.848438000915289d-1*t12*t15*t154*t51
4814 t154 = 1/t4**7
[all …]
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| H A D | nwxcm_c_b95.F | 1031 t154 = 1/rhoa**3.3333333333333337d+0
1163 1 10461360746d-1*t127*t154*t19*t66*t69-1.0d+0*t1*t126*t2*t6
1256 1 940410461360746d-1*t127*t154*t66*t69*t83+7.31347015378691
1299 1 -1*t127*t154*t19*t66*wght
2229 t154 = 1/t71**3
2689 2 gammabb*t154*t155*t33*t66*t74+2.742551307670093d-2*gammab
2696 Cmat(iq,D1_GBB) = (-2.1940410461360746d-1*t154*t157*t33*t66*
2719 2 d+0*gammabb*t154*t320*t33*t66*t74+1.1701552246059063d+0*g
2720 3 ammabb*t141*t154*t155*t66*t74+4.680620898423625d+0*t259*t
2769 2 mabb*t154*t155*t33*t66)*wght+Mmat2(iq,D2_RB_TB)
[all …]
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| /dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/ |
| H A D | hyb_mgga_x_m05.c | 239 t154 = t58 * t53; in func_unpol()
240 t155 = t154 * t62; in func_unpol()
384 t478 = t154 * t68; in func_unpol()
755 t1791 = t154 * t80; in func_unpol()
1259 t154 = t59 * t54; in func_ferr()
2530 t154 = 0.1e1 / t153; in func_pol()
2752 t541 = t154 * t134; in func_pol()
3005 t1051 = t154 * t987; in func_pol()
3191 t1548 = t154 * t125; in func_pol()
4143 t3746 = t154 * t991; in func_pol()
[all …]
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| /dports/science/ergo/ergo-3.8/source/dft/ |
| H A D | fun-pbec.c | 458 real t148, t149, t150, t151, t152, t153, t154; in pbec_second() local
675 t154 = t153+t152; in pbec_second()
680 t53*t3*t67*t154*t121; in pbec_second()
1005 t53*t3*t154*t121*t120)*t8+t265-.0040078715083799*t8*t11*t50* in pbec_second()
1080 t53*t3*t154*t121*t141)*t8+t265-.0040078715083799*t8*t11*t50* in pbec_second()
1098 2.113341204250295*t53*t3*t147*t154*t121+4.22668240850059*t53* in pbec_second()
1099 t3*t67*t154*t146*t216)-.0040078715083799*t8*t11*t50*t32*t158* in pbec_second()
1110 2.113341204250295*t53*t3*t150*t154*t121+4.22668240850059*t53* in pbec_second()
1111 t3*t67*t154*t149*t216)-.0040078715083799*t8*t11*t50*t32*t158* in pbec_second()
1114 t61*t288*t60*t52*t67*t121*t69+4.22668240850059*POW(t154,2.0)* in pbec_second()
[all …]
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| /dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/dft/ |
| H A D | fun-pbec.c | 465 real t148, t149, t150, t151, t152, t153, t154; in pbec_second() local
682 t154 = t153+t152; in pbec_second()
687 t53*t3*t67*t154*t121; in pbec_second()
1012 t53*t3*t154*t121*t120)*t8+t265-.0040078715083799*t8*t11*t50* in pbec_second()
1087 t53*t3*t154*t121*t141)*t8+t265-.0040078715083799*t8*t11*t50* in pbec_second()
1105 2.113341204250295*t53*t3*t147*t154*t121+4.22668240850059*t53* in pbec_second()
1106 t3*t67*t154*t146*t216)-.0040078715083799*t8*t11*t50*t32*t158* in pbec_second()
1117 2.113341204250295*t53*t3*t150*t154*t121+4.22668240850059*t53* in pbec_second()
1118 t3*t67*t154*t149*t216)-.0040078715083799*t8*t11*t50*t32*t158* in pbec_second()
1121 t61*t288*t60*t52*t67*t121*t69+4.22668240850059*pow(t154,2.0)* in pbec_second()
[all …]
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