| /dports/science/libxc/libxc-5.0.0/src/maple2c/gga_exc/ |
| H A D | gga_c_acgga.c | 271 t152 = t56 * t83; in func_unpol()
292 t192 = t152 * t147; in func_unpol()
409 t428 = t152 * t427; in func_unpol()
469 t556 = t152 * t142; in func_unpol()
523 t666 = t152 * t665; in func_unpol()
1508 t153 = t78 * t152; in func_ferr()
1606 t322 = t321 * t152; in func_ferr()
1611 t329 = t152 * t152; in func_ferr()
1650 t424 = t418 * t152; in func_ferr()
1700 t543 = t542 * t152; in func_ferr()
[all …]
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| H A D | gga_x_ev93.c | 38 double t137, t138, t145, t146, t151, t152, t155, t157; in func_unpol() local
184 t152 = t19 * t151; in func_unpol()
190 t166 = 0.11e2 / 0.27e2 * t18 * t152 + 0.19e2 / 0.162e3 * t31 * t158 + t43 * t163 / 0.8e1; in func_unpol()
196 t188 = 0.11e2 / 0.27e2 * t52 * t152 + 0.19e2 / 0.162e3 * t56 * t158 + t59 * t163 / 0.8e1; in func_unpol()
427 double t148, t149, t152, t153, t161, t162, t163, t173; in func_ferr() local
564 t152 = 0.11e2 / 0.27e2 * t10 * t138 + 0.19e2 / 0.324e3 * t24 * t144 + t38 * t149 / 0.32e2; in func_ferr()
565 t153 = t6 * t152; in func_ferr()
622 t271 = t8 * t152; in func_ferr()
791 double t145, t146, t149, t150, t152, t153, t154, t155; in func_pol() local
1118 t152 = t7 * t17 * t150; in func_pol()
[all …]
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| H A D | gga_x_lv_rpw86.c | 508 double t139, t140, t147, t148, t152, t154, t160, t161; in func_ferr() local
652 t152 = t26 * t25; in func_ferr()
653 t154 = 0.1e1 / t16 / t152; in func_ferr()
835 t685 = t24 / t152; in func_ferr()
838 t698 = t99 * t152; in func_ferr()
846 …097e-22 * t695 * t347 + 0.84615658608761306956e-30 * t202 * t303 / t341 / t152 * t711 - 0.15161518… in func_ferr()
964 double t143, t144, t146, t147, t148, t149, t152, t154; in func_pol() local
1228 t152 = t35 * t24; in func_pol()
1229 t154 = 0.1e1 / t25 / t152; in func_pol()
2129 t1979 = sigma[0] / t26 / t152; in func_pol()
[all …]
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| H A D | gga_c_sogga11.c | 297 t152 = t53 * t51; in func_unpol()
454 t509 = t152 * t122; in func_unpol()
489 t583 = t152 * t576; in func_unpol()
706 t1169 = t152 * t1158; in func_unpol()
747 t1307 = t152 * t1280; in func_unpol()
794 t1424 = t152 * t575; in func_unpol()
802 t1442 = t152 * t367; in func_unpol()
882 t1749 = t152 * t648; in func_unpol()
1001 t2058 = t152 * t354; in func_unpol()
4123 t152 = t3 * t6; in func_pol()
[all …]
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| H A D | gga_xc_th2.c | 234 double t144, t152, t155, t156, t160, t164, t167, t188; in func_ferr() local
322 t152 = 0.1e1 / t10 / t60; in func_ferr()
329 …16 + 0.27248333333333333333e-1 * t111 * t16 - 0.13442193750000000000e-1 * t152 * t16 - 0.640761000… in func_ferr()
349 …1e0 * t107 + 0.13752987654320987655e1 * t111 - 0.19985850000000000000e1 * t152 + 0.180548148148148… in func_ferr()
352 …73 + 0.13624166666666666667e-1 * t111 * t73 - 0.67210968750000000000e-2 * t152 * t73 - 0.640761000… in func_ferr()
402 double t143, t146, t149, t152, t153, t156, t158, t159; in func_pol() local
682 t152 = POW_2_3(rho[0]); in func_pol()
683 t153 = t152 * t123; in func_pol()
817 t468 = t152 * t43; in func_pol()
1114 t1297 = t152 * t125; in func_pol()
[all …]
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| H A D | gga_c_tca.c | 758 double t152, t155, t156, t157, t159, t163, t164, t167; in func_pol() local
1082 t152 = t65 * t65; in func_pol()
1090 t170 = -t151 * t152 / 0.9e1 + t61 * t159 / 0.3e1 - t163 * t164 / 0.9e1 + t67 * t167 / 0.3e1; in func_pol()
1252 t361 = t152 * t65; in func_pol()
1375 …t594 = 0.4e1 / 0.27e2 * t568 * t152 - 0.4e1 / 0.9e1 * t571 * t156 * t65 - t230 * t159 / 0.9e1 + 0.… in func_pol()
1725 t1117 = t152 * t152; in func_pol()
1750 … * t34 * t53 * (-0.28e2 / 0.81e2 * t1116 * t1117 + 0.8e1 / 0.9e1 * t360 * t152 * t159 - t151 * t11… in func_pol()
1851 … + 0.4e1 / 0.9e1 * t568 * t65 * t159 + 0.8e1 / 0.9e1 * t360 * t1 * t156 * t152 - 0.2e1 / 0.3e1 * t… in func_pol()
1920 …t152 + 0.32e2 / 0.27e2 * t568 * t65 * t1 * t156 + 0.4e1 / 0.27e2 * t662 * t159 - 0.8e1 / 0.9e1 * t… in func_pol()
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| H A D | gga_x_ak13.c | 37 double t146, t149, t150, t151, t152, t155, t156, t157; in func_unpol() local
171 t152 = t151 * t78; in func_unpol()
175 … t34 * t20 * t141 + 0.5e1 / 0.18e2 * t76 * t146 - 0.2e1 / 0.27e2 * t150 * t152 - 0.2e1 / 0.27e2 * … in func_unpol()
320 …t667 = -0.8e1 / 0.27e2 * t382 * t152 - 0.8e1 / 0.27e2 * t382 * t157 - t620 * t78 * t12 * t622 / 0.… in func_unpol()
706 double t148, t149, t151, t152, t156, t157, t159, t160; in func_pol() local
941 t152 = t53 * t151; in func_pol()
949 …t173 = -t24 * t152 * t61 / 0.9e1 - t102 * t160 * t161 / 0.18e2 - t39 * t152 * t66 / 0.9e1 - t116 *… in func_pol()
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| H A D | gga_x_herman.c | 296 double t152, t153, t154, t155, t156, t157, t159, t160; in func_pol() local
509 t152 = 0.29333333333333333334e-1 * t151; in func_pol()
527 t174 = -t123 - t127 + t130 - t138 + t144 + t146 - t152 - t160 - t164 - t169 + t173; in func_pol()
760 …v3rho3[1] = -t123 + t130 - t152 + t380 + 0.21333333333333333334e-1 * t215 + 0.53333333333333333334… in func_pol()
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| H A D | gga_c_cs1.c | 38 double t146, t147, t148, t151, t152, t155, t156, t157; in func_unpol() local
179 t152 = t5 * t151; in func_unpol()
197 …1 + 0.58166666666666666664e-1 * t124 - 0.38777777777777777776e-1 * t128 + t152 / 0.4e1 - t157 / 0.… in func_unpol()
281 …000000000000e0 * t124 - 0.11633333333333333333e0 * t128 + 0.3e1 / 0.4e1 * t152 - t157 / 0.3e1 + t1… in func_unpol()
411 double t125, t126, t129, t130, t136, t143, t144, t152; in func_ferr() local
519 t152 = 0.1e1 / t1 / t38; in func_ferr()
527 …t175 = -0.13843268266666666667e-2 * t5 * t152 * t19 + 0.31673927680000000000e-4 * t37 * t156 * t43… in func_ferr()
559 … t67 * t111 - t26 * t202 + t30 * (-0.27686536533333333333e-2 * sigma[0] * t152 * t19 + 0.111633704… in func_ferr()
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| H A D | gga_x_pbepow.c | 610 double t144, t145, t147, t148, t152, t153, t157, t158; in func_pol() local
837 t152 = pow(t60, 0.1000e3); in func_pol()
838 t153 = t57 * t152; in func_pol()
997 t402 = t147 * t152; in func_pol()
1048 t498 = t53 * t152; in func_pol()
1301 t964 = t396 * t152; in func_pol()
1702 t2300 = t959 * t152; in func_pol()
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| /dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/ |
| H A D | mgga_x_mn12.c | 1953 double t142, t143, t145, t146, t147, t151, t152, t154; in func_ferr() local
2218 t152 = t151 * t23; in func_ferr()
2221 t157 = t152 * t26 + t155 * t32 + params->c[27]; in func_ferr()
2340 …t430 = 0.5e1 / 0.3e1 * t420 * t208 + 0.5e1 / 0.3e1 * t152 * t212 + 0.10e2 / 0.3e1 * t425 * t212 + … in func_ferr()
2392 t635 = -t151 * t21 * t26 - t152 * t529 - 0.2e1 * t155 * t533 - 0.2e1 * t425 * t529; in func_ferr()
2525 … * t691 + 0.50e2 / 0.9e1 * t1166 * t710 + 0.50e2 / 0.9e1 * t152 * t719 - 0.40e2 / 0.9e1 * t152 * t… in func_ferr()
2950 …0e2 / 0.3e1 * t3398 * t718 - 0.50e2 / 0.3e1 * t152 * t3143 + 0.20e2 * t152 * t3192 - 0.40e2 / 0.9e… in func_ferr()
3088 … / 0.3e1 * t1492 * t32 + 0.10e2 * t4263 * t218 + 0.10e2 * t152 * t4082 - 0.20e2 / 0.3e1 * t152 * t… in func_ferr()
3574 double t151, t152, t154, t155, t157, t158, t160, t161; in func_pol() local
4266 t152 = t151 * t33; in func_pol()
[all …]
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| H A D | mgga_x_revtm.c | 478 t401 = t152 * t152; in func_unpol()
542 t586 = t244 * t152; in func_unpol()
589 t723 = t33 * t167 * t152; in func_unpol()
750 t1161 = t401 * t152; in func_unpol()
751 t1164 = t400 * t152; in func_unpol()
765 t1205 = t152 * t415; in func_unpol()
837 t1462 = t573 * t152; in func_unpol()
925 t1798 = t126 * t152; in func_unpol()
1023 t2114 = t823 * t152; in func_unpol()
1027 t2125 = t827 * t51 * t152; in func_unpol()
[all …]
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwxc/maxima/f77/ |
| H A D | nwxcm_c_mpbe.F | 921 t152 = -4.0827787561099116d+0*t1*t11*t12*t18*t50*t68
1657 t152 = 9.451468968086676d-1*t1*t17*t22*t27*t30
1689 + +t152+t151+t150+t149+t148+t147+t146+t145)
1917 + +t153+t152+t151+t150+t149+t148+t147+t146+t145)
2254 t152 = t96+t151+t150+t148+t147+t146+t145+t144+t143
2274 + +2.0413893780549558d+0*t1*t10*t11*t12*t152*t25
2906 + +2.0413893780549558d+0*t1*t11*t12*t152*t25
3380 + -4.763241882128231d+0*t1*t10*t12*t152*t25*t41
3440 + -6.124168134164868d+0*t1*t10*t11*t12*t152*t50*t66
3455 + -1.4289725646384693d+1*t1*t10*t12*t152*t25*t41
[all …]
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| H A D | nwxcm_c_lyp.F | 1027 t152 = -2.3333333333333334d+0*t14*t17*t81*t89
1134 8 56+t155+t152+t151+t150+t149+t114+t113+t111+t110+t109)*wgh
1163 ; +t163+t161+t159+t156+t155+t152+t151+t150+t149+t114+t113+t
1412 t152 = 2.3803120000000005d-2*t11*t16*t49*t5
1591 1 t5*t6+t152+t151+t150)*wght+Cmat2(iq,D2_RA_GAB)
1597 1 52*t6+t152+t151+t150)*wght+Cmat2(iq,D2_RB_GAB)
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| H A D | nwxcm_c_p91.F | 1105 t152 = t151+t150
1106 t153 = 3.333333333333333d-1*t152*t71+3.333333333333333d-1*t1
2193 t152 = 1/rhoa**1.8333333333333332d+0
2203 t162 = -4.734138489271654d-2*gammaaa*t152*t19*t28
2259 t198 = 2.3120211226675536d-2*gammaaa*t152*t19*t28
2471 9 46*t60-2.722902533156262d-2*t152*t22*t44*t45+t195+t194+t1
2823 t152 = -2*t62
2824 t153 = t152+t151
3011 t252 = t152+t146
4812 t152 = 1/rhoa**3.3333333333333337d+0
[all …]
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| H A D | nwxcm_c_m11.F | 1392 t152 = t151+t148+t147+8.443450000000001d-3*t144*t145*t146+t1
1464 1 +1*t152
1862 1 52d+0*t42*t87*t90+t152*t40*t42
2721 t152 = 1/t47**2
3169 t152 = 1/t47**2
3877 t152 = -1.243628d-1*rhoa*t151*t46*t47
4885 2 4+t153+t152)*wght+Amat2(iq,D2_RA_RA)
4888 2 4+t153+t152)*wght+Amat2(iq,D2_RA_RB)
5310 1 52d+0*t42*t86*t90+t152*t40*t42
5932 2 *t215*t42*t90+t40*t42*t456-t152*t42
[all …]
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/nwxc/maxima/f77/ |
| H A D | nwxcm_c_mpbe.F | 921 t152 = -4.0827787561099116d+0*t1*t11*t12*t18*t50*t68
1657 t152 = 9.451468968086676d-1*t1*t17*t22*t27*t30
1689 + +t152+t151+t150+t149+t148+t147+t146+t145)
1917 + +t153+t152+t151+t150+t149+t148+t147+t146+t145)
2254 t152 = t96+t151+t150+t148+t147+t146+t145+t144+t143
2274 + +2.0413893780549558d+0*t1*t10*t11*t12*t152*t25
2906 + +2.0413893780549558d+0*t1*t11*t12*t152*t25
3380 + -4.763241882128231d+0*t1*t10*t12*t152*t25*t41
3440 + -6.124168134164868d+0*t1*t10*t11*t12*t152*t50*t66
3455 + -1.4289725646384693d+1*t1*t10*t12*t152*t25*t41
[all …]
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| H A D | nwxcm_c_lyp.F | 1027 t152 = -2.3333333333333334d+0*t14*t17*t81*t89
1134 8 56+t155+t152+t151+t150+t149+t114+t113+t111+t110+t109)*wgh
1163 ; +t163+t161+t159+t156+t155+t152+t151+t150+t149+t114+t113+t
1412 t152 = 2.3803120000000005d-2*t11*t16*t49*t5
1591 1 t5*t6+t152+t151+t150)*wght+Cmat2(iq,D2_RA_GAB)
1597 1 52*t6+t152+t151+t150)*wght+Cmat2(iq,D2_RB_GAB)
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| H A D | nwxcm_c_p91.F | 1105 t152 = t151+t150
1106 t153 = 3.333333333333333d-1*t152*t71+3.333333333333333d-1*t1
2193 t152 = 1/rhoa**1.8333333333333332d+0
2203 t162 = -4.734138489271654d-2*gammaaa*t152*t19*t28
2259 t198 = 2.3120211226675536d-2*gammaaa*t152*t19*t28
2471 9 46*t60-2.722902533156262d-2*t152*t22*t44*t45+t195+t194+t1
2823 t152 = -2*t62
2824 t153 = t152+t151
3011 t252 = t152+t146
4812 t152 = 1/rhoa**3.3333333333333337d+0
[all …]
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| H A D | nwxcm_c_m11.F | 1392 t152 = t151+t148+t147+8.443450000000001d-3*t144*t145*t146+t1
1464 1 +1*t152
1862 1 52d+0*t42*t87*t90+t152*t40*t42
2721 t152 = 1/t47**2
3169 t152 = 1/t47**2
3877 t152 = -1.243628d-1*rhoa*t151*t46*t47
4885 2 4+t153+t152)*wght+Amat2(iq,D2_RA_RA)
4888 2 4+t153+t152)*wght+Amat2(iq,D2_RA_RB)
5310 1 52d+0*t42*t86*t90+t152*t40*t42
5932 2 *t215*t42*t90+t40*t42*t456-t152*t42
[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
673 t152 = .3721842537985072*t53*t68*t56*t60*t52*t69; in pbec_second()
675 t154 = t153+t152; in pbec_second()
1086 (t153+t152+.7443685075970145*t53*t68*t54*t60*t52*t69)*t121- in pbec_second()
1104 (t153+t152+.7443685075970145*t53*t68*t55*t60*t52*t69)*t121- in pbec_second()
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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
680 t152 = .3721842537985072*t53*t68*t56*t60*t52*t69; in pbec_second()
682 t154 = t153+t152; in pbec_second()
1093 (t153+t152+.7443685075970145*t53*t68*t54*t60*t52*t69)*t121- in pbec_second()
1111 (t153+t152+.7443685075970145*t53*t68*t55*t60*t52*t69)*t121- in pbec_second()
|
| /dports/science/PETSc/petsc-3.14.1/src/snes/tutorials/ |
| H A D | ex69.c | 263 PetscReal t136,t138,t140,t141,t142,t143,t152,t160,t162; in SolKxSolution() local
422 t152 = t2 * t10 * BB; in SolKxSolution()
424 … t2 * t142 * BB) * t115 + (-0.2e1 * t2 * t136 * AA - t152) * t121 + (-0.2e1 * t2 * t142 * AA + t15… in SolKxSolution()
776 …137,t138,t139,t140,t141,t142,t143,t144,t145,t146,t147,t148,t149,t150,t151,t152,t153,t154,t155,t156… in SolCxSolution() local
1746 t152 = t72 * t12; in SolCxSolution()
1749 …- 0.12e2 * t139 * t38 * t142 - 0.8e1 * t145 * t147 - 0.8e1 * t151 * t90 * t152 - 0.2e1 * t87 * t15… in SolCxSolution()
1901 t596 = t152 * t67; in SolCxSolution()
1962 …8 * t37 * t39 - t888 * t50 + t105 * t411 - 0.16e2 * t335 * t301 + 0.8e1 * t152 * t25 * t136 - 0.8e… in SolCxSolution()
2038 … t1235 * t2 * t91 * t39 + 0.8e1 * t1366 * t152 * t1242 + 0.32e2 * t1287 * t1371 + 0.8e1 * t1258 * … in SolCxSolution()
2045 …0.2e1 * t243 * t1456 * t17 - 0.64e2 * t1285 * t365 * t12 * t189 * t490 - 0.8e1 * t1354 * t152 * xc; in SolCxSolution()
[all …]
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/xc/ |
| H A D | xc_xbecke_roussel.F | 604 t129, t130, t134, t135, t138, t142, t143, t146, t147, t150, t152, t153, t157, t158, t16, & local
707 t152 = t66*gamma
708 t153 = t152*t9
751 t267 = t152*ndrho
1973 t135, t138, t139, t145, t152, t155, t158, t159, t162, t164, t165, t176, t179, t180, t181, & local
2088 t152 = 0.1e1_dp/t7/t27*gamma*t12
2096 t179 = -0.2500000000e1_dp*t5*t145*t19 - 0.1250000000e0_dp*t5*t152 &
2099 *t4*t145*t19 - t176*t152/0.8e1_dp
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| /dports/science/cp2k-data/cp2k-7.1.0/src/xc/ |
| H A D | xc_xbecke_roussel.F | 604 t129, t130, t134, t135, t138, t142, t143, t146, t147, t150, t152, t153, t157, t158, t16, & local
707 t152 = t66*gamma
708 t153 = t152*t9
751 t267 = t152*ndrho
1973 t135, t138, t139, t145, t152, t155, t158, t159, t162, t164, t165, t176, t179, t180, t181, & local
2088 t152 = 0.1e1_dp/t7/t27*gamma*t12
2096 t179 = -0.2500000000e1_dp*t5*t145*t19 - 0.1250000000e0_dp*t5*t152 &
2099 *t4*t145*t19 - t176*t152/0.8e1_dp
|