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/dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/
H A Dmgga_x_gdme.c921 t155 = t34 * t37; in func_pol()
923 t157 = t155 * t156; in func_pol()
929 t163 = t155 * t162; in func_pol()
964 t193 = t155 * t192; in func_pol()
1011 t259 = t155 * t258; in func_pol()
1050 t317 = t155 * t316; in func_pol()
1091 t350 = t155 * t349; in func_pol()
1109 t371 = t155 * t370; in func_pol()
1115 t377 = t155 * t376; in func_pol()
1122 t386 = t155 * t385; in func_pol()
[all …]
/dports/science/libxc/libxc-5.0.0/src/maple2c/gga_exc/
H A Dgga_x_ev93.c185 t155 = t34 * t73; in func_unpol()
186 t157 = 0.1e1 / t10 / t155; in func_unpol()
1121 t155 = t4 * t154; in func_pol()
1126 t167 = t155 * t116 * t165; in func_pol()
1182 t256 = t155 * t116 * t254; in func_pol()
1237 t327 = t155 * t298 * t165; in func_pol()
1249 t351 = t155 * t302 * t165; in func_pol()
1254 t358 = t155 * t116 * t356; in func_pol()
1258 t369 = t155 * t116 * t367; in func_pol()
1371 t549 = t155 * t527 * t165; in func_pol()
[all …]
H A Dgga_x_optx.c673 t155 = t154 * t3; in func_pol()
830 v2rhosigma[0] = -t376 / 0.2e1 - t155 * t378 * t379 / 0.2e1 - 0.3e1 / 0.8e1 * t155 * t156 * t398; in func_pol()
854 v2rhosigma[5] = -t403 / 0.2e1 - t155 * t415 / 0.2e1 - 0.3e1 / 0.8e1 * t155 * t434; in func_pol()
860 v2sigma2[0] = -0.3e1 / 0.8e1 * t155 * t451; in func_pol()
878 v2sigma2[5] = -0.3e1 / 0.8e1 * t155 * t468; in func_pol()
1117 …3e1 * t896 - t900 - t902 - t155 * t270 * t903 / 0.6e1 - t155 * t378 * t907 - t155 * t378 * t910 / … in func_pol()
1127 …v3rho2sigma[2] = -0.4e1 / 0.3e1 * t938 - t942 - t155 * t293 * t943 / 0.6e1 - t155 * t404 * t947 / … in func_pol()
1158 v3rho2sigma[6] = -0.4e1 / 0.3e1 * t955 - t900 - t155 * t992 / 0.6e1 - t155 * t996 / 0.2e1; in func_pol()
1170 ….4e1 / 0.3e1 * t974 - t942 - t984 - t155 * t1001 / 0.6e1 - t155 * t1005 - t155 * t1008 / 0.2e1 - 0… in func_pol()
1180 v3rhosigma2[0] = -t1034 / 0.2e1 - t155 * t1037 / 0.2e1 - 0.3e1 / 0.8e1 * t155 * t1059; in func_pol()
[all …]
H A Dgga_x_pbepow.c37 double t136, t139, t142, t145, t150, t155, t156, t160; in func_unpol() local
163 t155 = t17 * t9; in func_unpol()
178 …t202 = t45 * (-0.83615520857881833834e-196 * t155 * t156 * t93 - 0.36750228700902738685e-192 * t11… in func_unpol()
225 …7472228768489022e-195 * t155 * t281 * t74 - 0.41807760428940916917e-194 * t155 * t285 * t120 - 0.4… in func_unpol()
237 …0.85030395386409860625e-3 * t366 * sigma[0] + 0.58039318804116545489e-5 * t62 * t370 * t262 * t155; in func_unpol()
238 …7472228768489022e-195 * t155 * t281 * t93 - 0.83615520857881833834e-194 * t155 * t285 * t164 - 0.8… in func_unpol()
245 ….19131838961942218641e-3 * t194 * t139 - 0.21764744551543704558e-5 * sigma[0] * t397 * t262 * t155; in func_unpol()
246 …t406 = t45 * (-0.12542328128682275075e-193 * t155 * t285 * t189 - 0.12542328128682275075e-195 * t1… in func_unpol()
274 …t155 * t285 * t307 - 0.83615520857881833834e-194 * t155 * t285 * t310 - 0.81757398172151126414e-19… in func_unpol()
280 …t155 * t296 * t189 - 0.12416904847395452324e-191 * t155 * t526 * t351 - 0.25084656257364550150e-19… in func_unpol()
[all …]
H A Dgga_c_op_g96.c37 double t154, t155, t161, t162, t163, t173, t175, t176; in func_unpol() local
178 t155 = t56 * t154; in func_unpol()
602 double t155, t157, t158, t159, t160, t161, t162, t163; in func_pol() local
1174 t155 = t77 * t154; in func_pol()
1194 vsigma[0] = -0.36458691403081914030e-3 * t155 * t163 + 0.25000000000000000000e0 * t77 * t182; in func_pol()
1211 vsigma[2] = -0.36458691403081914030e-3 * t155 * t192 + 0.25000000000000000000e0 * t77 * t204; in func_pol()
1475 …82928e-4 * t449 * t679 - 0.91146728507704785075e-4 * t155 * t688 + 0.18229345701540957015e-3 * t15… in func_pol()
1546 …82928e-4 * t449 * t795 - 0.91146728507704785075e-4 * t155 * t804 + 0.18229345701540957015e-3 * t15… in func_pol()
1810 … - 0.48611588537442552040e-3 * t155 * t1524 + 0.16203862845814184013e-3 * t155 * t1531 - 0.1620386… in func_pol()
2102 …t155 * t2226 + 0.16203862845814184013e-3 * t155 * t2233 + 0.24305794268721276020e-2 * t1948 - 0.14… in func_pol()
[all …]
/dports/science/libxc/libxc-5.0.0/src/maple2c/lda_exc/
H A Dlda_c_vwn_2.c729 double t153, t154, t155, t157, t159, t164, t166, t167; in func_pol() local
1028 t155 = t3 * t6; in func_pol()
1029 t157 = t154 * t155 * t142; in func_pol()
1043 t181 = t175 * t155 * t142 * t178; in func_pol()
1221 t489 = t154 * t155 * t450; in func_pol()
1281 t626 = t175 * t155 * t450 * t178; in func_pol()
1523 t1117 = t154 * t155 * t1072; in func_pol()
1730 t1686 = t175 * t155 * t1072 * t178; in func_pol()
2173 t2713 = t154 * t155 * t2574; in func_pol()
2181 t2827 = t2478 * t1 * t155; in func_pol()
[all …]
H A Dlda_x.c218 double t154, t155, t157, t161, t162, t165, t168, t171; in func_pol() local
345 t155 = t11 * t154; in func_pol()
346 t157 = 0.6e1 * t71 - 0.6e1 * t155; in func_pol()
369 t229 = -0.2e1 * t71 - 0.6e1 * t155; in func_pol()
378 t256 = -0.6e1 * t71 - 0.6e1 * t155; in func_pol()
422 …t155 - 0.8e1 / 0.27e2 * t146 * t117 * t67 + 0.8e1 / 0.9e1 * t66 * t229 * t35 + 0.4e1 / 0.9e1 * t22… in func_pol()
H A Dlda_x_2d.c188 double t151, t152, t154, t155, t158, t168, t171, t182; in func_pol() local
318 t155 = t121 * t36; in func_pol()
322 …t182 = t3 * (-0.3e1 / 0.16e2 * t155 * t52 + 0.3e1 / 0.2e1 * t158 * t56 * t27 + 0.3e1 / 0.8e1 * t77… in func_pol()
374 …t171 * t129 * t29 + 0.9e1 / 0.32e2 * t255 * t36 * t122 - 0.9e1 / 0.16e2 * t155 * t27 * t59 - 0.9e1… in func_pol()
382 …t415 = 0.9e1 / 0.32e2 * t255 * t94 * t52 - 0.3e1 / 0.2e1 * t155 * t27 * t5 * t56 - 0.3e1 / 0.16e2 … in func_pol()
388 …t465 = 0.9e1 / 0.32e2 * t255 * t218 * t27 - 0.9e1 / 0.8e1 * t188 * t57 - 0.9e1 / 0.16e2 * t155 * t… in func_pol()
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwxc/maxima/f77/
H A Dnwxcm_c_tpss03.F5617 > t155*t417*t58+8.172647331405554d-1*t141*t149*t150*t155*
5910 : t155*t318*t323*t58-6.356503479982097d-1*t143*t155*t254*
12349 9 t155*t256*t265*t58+1.2713006959964196d+0*t144*t149*t155
12648 8 t144*t155*t320*t324*t58-6.356503479982097d-1*t143*t155*
13612 ? *t155*t265*t486*t58+1.906951043994629d+0*t144*t149*t155
14809 5 t155*t505-2.7242157771351844d-1*t141*t144*t149*t155*t48
15363 @ 144*t155*t320*t58*t721-3.1782517399910487d-1*t143*t155*
18736 9 t155*t253*t262*t58+1.2713006959964196d+0*t144*t149*t155
18867 2 *t155*t262-1.2713006959964193d-50*t143*t149*t155*t254*t
19062 8 t144*t155*t318*t323*t58-6.356503479982097d-1*t143*t155*
[all …]
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwxc/maxima/f77/
H A Dnwxcm_c_tpss03.F5617 > t155*t417*t58+8.172647331405554d-1*t141*t149*t150*t155*
5910 : t155*t318*t323*t58-6.356503479982097d-1*t143*t155*t254*
12349 9 t155*t256*t265*t58+1.2713006959964196d+0*t144*t149*t155
12648 8 t144*t155*t320*t324*t58-6.356503479982097d-1*t143*t155*
13612 ? *t155*t265*t486*t58+1.906951043994629d+0*t144*t149*t155
14809 5 t155*t505-2.7242157771351844d-1*t141*t144*t149*t155*t48
15363 @ 144*t155*t320*t58*t721-3.1782517399910487d-1*t143*t155*
18736 9 t155*t253*t262*t58+1.2713006959964196d+0*t144*t149*t155
18867 2 *t155*t262-1.2713006959964193d-50*t143*t149*t155*t254*t
19062 8 t144*t155*t318*t323*t58-6.356503479982097d-1*t143*t155*
[all …]
/dports/science/mpqc/mpqc-2.3.1/src/lib/chemistry/qc/oint3/
H A Di0333AB.cc158 double t155; in i0333eAB() local
650 t155=t64*t77; in i0333eAB()
651 t156=t117+t155; in i0333eAB()
653 t155=t117+t156; in i0333eAB()
654 t117=t4*t155; in i0333eAB()
1766 t146=t12*t155; in i0333eAB()
1800 t155=t11*t132; in i0333eAB()
1805 t158=t11+t155; in i0333eAB()
1816 t155=t4*t167; in i0333eAB()
1826 t44=t35+t155; in i0333eAB()
[all …]
H A Di1333AB.cc158 double t155; in i1333eAB() local
650 t155=t64*t77; in i1333eAB()
651 t156=t117+t155; in i1333eAB()
653 t155=t117+t156; in i1333eAB()
654 t117=t4*t155; in i1333eAB()
1759 t146=t12*t155; in i1333eAB()
1791 t155=t11*t132; in i1333eAB()
1796 t158=t11+t155; in i1333eAB()
1806 t155=t4*t167; in i1333eAB()
1816 t44=t35+t155; in i1333eAB()
[all …]
H A Di2333AB.cc158 double t155; in i2333eAB() local
642 t155=t64*t77; in i2333eAB()
643 t156=t117+t155; in i2333eAB()
645 t155=t117+t156; in i2333eAB()
646 t117=t4*t155; in i2333eAB()
1726 t146=t12*t155; in i2333eAB()
1758 t155=t11*t132; in i2333eAB()
1763 t158=t11+t155; in i2333eAB()
1773 t155=t4*t167; in i2333eAB()
1783 t44=t35+t155; in i2333eAB()
[all …]
H A Di2302.cc158 double t155; in i2302() local
741 t155=t138*t90; in i2302()
748 t155=t138*t52; in i2302()
749 t157=t4+t155; in i2302()
750 t155=t145*t54; in i2302()
752 t155=t16*t158; in i2302()
924 t4=t155+t157; in i2302()
1333 t13=t7*t155; in i2302()
1351 t9=t145*t155; in i2302()
1492 t51=t36*t155; in i2302()
[all …]
H A Di0303AB.cc158 double t155; in i0303eAB() local
765 t155=t64*t77; in i0303eAB()
766 t156=t117+t155; in i0303eAB()
768 t155=t117+t156; in i0303eAB()
769 t117=t4*t155; in i0303eAB()
2558 t118=t12*t155; in i0303eAB()
2559 t155=t118+t84; in i0303eAB()
2570 t311=t21+t155; in i0303eAB()
2571 t155=t4*t153; in i0303eAB()
2762 t155=t9*t189; in i0303eAB()
[all …]
H A Di0313AB.cc158 double t155; in i0313eAB() local
752 t155=t64*t77; in i0313eAB()
753 t156=t117+t155; in i0313eAB()
755 t155=t117+t156; in i0313eAB()
756 t117=t4*t155; in i0313eAB()
2492 t118=t12*t155; in i0313eAB()
2493 t155=t118+t84; in i0313eAB()
2504 t298=t21+t155; in i0313eAB()
2505 t155=t4*t153; in i0313eAB()
2696 t155=t9*t189; in i0313eAB()
[all …]
H A Di1313AB.cc158 double t155; in i1313eAB() local
752 t155=t64*t77; in i1313eAB()
753 t156=t117+t155; in i1313eAB()
755 t155=t117+t156; in i1313eAB()
756 t117=t4*t155; in i1313eAB()
2481 t118=t12*t155; in i1313eAB()
2482 t155=t118+t84; in i1313eAB()
2491 t298=t21+t155; in i1313eAB()
2492 t155=t4*t153; in i1313eAB()
2672 t155=t9*t189; in i1313eAB()
[all …]
H A Di1302AB.cc158 double t155; in i1302eAB() local
1135 t152=t155+t48; in i1302eAB()
1141 t155=t117*t148; in i1302eAB()
1142 t148=t152+t155; in i1302eAB()
1145 t155=t19*t152; in i1302eAB()
1149 t156=t157+t155; in i1302eAB()
1154 t156=t6*t155; in i1302eAB()
1164 t158=t19*t155; in i1302eAB()
1353 t28=t3*t155; in i1302eAB()
1435 t38=t104*t155; in i1302eAB()
[all …]
H A Di0302AB.cc158 double t155; in i0302eAB() local
1135 t152=t155+t48; in i0302eAB()
1141 t155=t117*t148; in i0302eAB()
1142 t148=t152+t155; in i0302eAB()
1145 t155=t19*t152; in i0302eAB()
1149 t156=t157+t155; in i0302eAB()
1154 t156=t6*t155; in i0302eAB()
1164 t158=t19*t155; in i0302eAB()
1366 t28=t3*t155; in i0302eAB()
1448 t38=t104*t155; in i0302eAB()
[all …]
H A Di2302AB.cc158 double t155; in i2302eAB() local
1100 t152=t155+t48; in i2302eAB()
1106 t155=t117*t148; in i2302eAB()
1107 t148=t152+t155; in i2302eAB()
1110 t155=t19*t152; in i2302eAB()
1113 t156=t157+t155; in i2302eAB()
1118 t156=t6*t155; in i2302eAB()
1127 t158=t19*t155; in i2302eAB()
1316 t28=t3*t155; in i2302eAB()
1398 t38=t104*t155; in i2302eAB()
[all …]
H A Di3302.cc158 double t155; in i3302() local
711 t155=t151+t154; in i3302()
712 t151=t145*t155; in i3302()
717 t155=t153+t151; in i3302()
722 t157=t156+t155; in i3302()
723 t155=t138*t90; in i3302()
729 t155=t138*t52; in i3302()
730 t157=t4+t155; in i3302()
731 t155=t145*t54; in i3302()
733 t155=t16*t158; in i3302()
[all …]
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/xc/
H A Dxc_xpbe_hole_t_c_lr.F489 t125, t126, t129, t13, t133, t136, t14, t140, t142, t143, t144, t147, t150, t152, t155, & local
599 t155 = t29*t31*C
601 t159 = t126 + 2*D*E + t14*t140 + t115*t152 + t155*t156* &
757 … *t156*t534, KIND=dp) + t155*t370*t116*t118 + 0.2e1_dp*t155*t541 &
814 … *t156*t808, KIND=dp) + t155*t677*t116*t118 + 0.2e1_dp*t155*t541 &
856 t135, t138, t14, t140, t142, t143, t146, t150, t151, t152, t155, t158, t165, t17, t170, & local
955 t155 = EXP(-t152*t38 - q)
957 0.9e1_dp*A*t54 - 0.4e1_dp/0.9e1_dp*t151*t155
1044 … *t276*t1*t278 + 0.4e1_dp/0.3e1_dp*t307*t155*t289 - 0.4e1_dp &
1079 /0.3e1_dp*t307*t155*t498 - 0.4e1_dp/0.9e1_dp*t58*REAL(2*t172 &
[all …]
/dports/science/cp2k-data/cp2k-7.1.0/src/xc/
H A Dxc_xpbe_hole_t_c_lr.F489 t125, t126, t129, t13, t133, t136, t14, t140, t142, t143, t144, t147, t150, t152, t155, & local
599 t155 = t29*t31*C
601 t159 = t126 + 2*D*E + t14*t140 + t115*t152 + t155*t156* &
757 … *t156*t534, KIND=dp) + t155*t370*t116*t118 + 0.2e1_dp*t155*t541 &
814 … *t156*t808, KIND=dp) + t155*t677*t116*t118 + 0.2e1_dp*t155*t541 &
856 t135, t138, t14, t140, t142, t143, t146, t150, t151, t152, t155, t158, t165, t17, t170, & local
955 t155 = EXP(-t152*t38 - q)
957 0.9e1_dp*A*t54 - 0.4e1_dp/0.9e1_dp*t151*t155
1044 … *t276*t1*t278 + 0.4e1_dp/0.3e1_dp*t307*t155*t289 - 0.4e1_dp &
1079 /0.3e1_dp*t307*t155*t498 - 0.4e1_dp/0.9e1_dp*t58*REAL(2*t172 &
[all …]
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/tools/Fun2D/
H A Dmpfr_cutoff_gamma.f90368 t155 = t59 ** 2
369 t156 = t73 * t155
370 t158 = t65 * t155
409 t253 = t99 * t155
411 t257 = t101 * t155
413 t261 = t155 * R
444 t332 = t155 * t59
453 t355 = t165 * t155
455 t360 = t163 * t155
473 t399 = t155 * t93
[all …]
/dports/science/cp2k-data/cp2k-7.1.0/tools/Fun2D/
H A Dmpfr_cutoff_gamma.f90368 t155 = t59 ** 2
369 t156 = t73 * t155
370 t158 = t65 * t155
409 t253 = t99 * t155
411 t257 = t101 * t155
413 t261 = t155 * R
444 t332 = t155 * t59
453 t355 = t165 * t155
455 t360 = t163 * t155
473 t399 = t155 * t93
[all …]

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