| /dports/science/libxc/libxc-5.0.0/src/maple2c/gga_exc/ |
| H A D | gga_x_sg4.c | 360 double t201, t204, t205, t208, t212, t213, t223; in func_ferr() local
500 t212 = t29 * sigma[0]; in func_ferr()
501 t213 = t27 * t212; in func_ferr()
515 t249 = t129 * t212; in func_ferr()
524 t268 = t30 * t212; in func_ferr()
533 t288 = t287 * t212; in func_ferr()
572 …t422 = t56 * (0.35201928360305914539e-27 * t394 * t396 + 0.11842124878456684784e-15 * t201 * t212 … in func_ferr()
597 …t212 / t7 / t250 / t115 / t34 * t23 * t27 + 0.57763933336119424124e-38 * t267 * t326 * t271 + 0.19… in func_ferr()
609 …09900e-36 * t666 * t369 * t9 * t128 - 0.22105299773119144930e-14 * t172 * t212 - 0.102431140648825… in func_ferr()
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| H A D | gga_k_mpbe.c | 39 double t189, t192, t202, t205, t209, t212, t213, t216; in func_unpol() local
187 t212 = t2 * t32 * t7; in func_unpol()
188 t213 = t209 * t175 * t212; in func_unpol()
233 t352 = t209 * t331 * t212; in func_unpol()
295 t558 = t209 * t556 * t212; in func_unpol()
370 double t190, t194, t196, t197, t200, t204, t211, t212; in func_ferr() local
513 t212 = params->a * sigma[0]; in func_ferr()
518 …t245 = t5 * (-t9 * t10 * t61 * t22 / 0.9e1 + t67 * t211 * t212 / 0.72e2 - t157 * t30 * t217 / 0.43… in func_ferr()
574 …t416 = 0.11e2 / 0.27e2 * t9 * t10 * t145 * t22 - 0.65e2 / 0.648e3 * t67 * t373 * t212 + 0.17e2 / 0… in func_ferr()
623 …t660 = -0.154e3 / 0.81e2 * t9 * t10 * t295 * t22 + 0.253e3 / 0.324e3 * t67 * t301 * t37 * t212 - 0… in func_ferr()
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| H A D | gga_x_dk87.c | 371 double t202, t203, t204, t212, t213, t218, t219, t223; in func_ferr() local
519 t212 = t132 * t202; in func_ferr()
520 t213 = t212 * t36; in func_ferr()
598 t436 = t212 * t140; in func_ferr()
649 … / 0.23328e5 * t59 * t218 * t431 * t140 + 0.7e1 / 0.3888e4 * t59 * t441 * t212 * t288 - 0.7e1 / 0.… in func_ferr()
695 double t199, t200, t201, t202, t203, t212, t214, t219; in func_pol() local
957 t212 = t124 * rho[0]; in func_pol()
958 t214 = 0.1e1 / t31 / t212; in func_pol()
1271 t731 = 0.1e1 / t32 / t212; in func_pol()
1286 t781 = t312 * t212; in func_pol()
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| H A D | gga_k_meyer.c | 1213 double t209, t210, t212, t218, t219, t222, t224, t226; in func_pol() local
1526 t212 = t144 * t89 * t76; in func_pol()
1527 t218 = t31 * t190 * t86 / 0.108e3 + 0.3e1 * t210 * t212 + 0.4e1 * t88 * t90 * t67; in func_pol()
1568 t294 = -t31 * t271 * t89 / 0.288e3 + 0.3e1 * t285 * t212 - 0.3e1 / 0.2e1 * t88 * t290 * t76; in func_pol()
1724 …t562 = -t31 * t498 * t86 / 0.108e3 + t502 * t504 / 0.54e2 + 0.3e1 * t540 * t212 + t207 * t547 / 0.… in func_pol()
1781 …t707 = -t661 * t662 * t663 / 0.288e3 + t502 * t189 * t283 * t209 / 0.108e3 + 0.3e1 * t691 * t212 +… in func_pol()
1843 …t835 = -t661 * t784 * t663 / 0.144e3 + t31 * t271 * t289 / 0.288e3 + 0.3e1 * t816 * t212 - t284 * … in func_pol()
2241 … + 0.2e1 / 0.3e1 * t690 * t551 - t502 * t1692 / 0.108e3 + 0.3e1 * t1731 * t212 + t1734 * t1334 / 0… in func_pol()
2351 …26 - 0.3e1 * t691 * t701 + 0.9e1 / 0.4e1 * t210 * t1930 + 0.3e1 * t1969 * t212 - t1734 * t1974 / 0… in func_pol()
2917 …1731 * t701 + 0.9e1 / 0.4e1 * t540 * t1930 + 0.3e1 * t74 * t4693 * t209 * t212 + t88 * t831 * t558… in func_pol()
[all …]
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| H A D | gga_x_b86.c | 312 double t206, t207, t208, t211, t212, t215, t217, t218; in func_ferr() local
465 t212 = t211 * t207; in func_ferr()
469 … * t201 * t112 + 0.136e3 / 0.3e1 * t205 * t208 + 0.136e3 / 0.3e1 * t205 * t212 - 0.64e2 / 0.9e1 * … in func_ferr()
521 …8 * t112 - 0.16400e5 / 0.27e2 * t357 * t208 - 0.16400e5 / 0.27e2 * t357 * t212 + 0.5696e4 / 0.27e2… in func_ferr()
587 double t201, t203, t204, t206, t210, t212, t216, t217; in func_pol() local
859 t212 = 0.1e1 / t20 / t210; in func_pol()
874 …t234 = 0.88e2 / 0.9e1 * t18 * t206 * t28 - 0.24e2 * t80 * t212 * t89 + 0.64e2 / 0.9e1 * t221 * t22… in func_pol()
1288 t923 = params->beta * t212 * t28; in func_pol()
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| H A D | gga_x_ncap.c | 1348 t212 = t209 * t211; in func_ferr()
1350 t214 = t212 * t213; in func_ferr()
1523 t641 = t212 * t119; in func_ferr()
1524 t644 = t212 * t102; in func_ferr()
1616 t912 = t212 * t148; in func_ferr()
1617 t915 = t212 * t158; in func_ferr()
2557 t220 = t64 * t212; in func_pol()
2569 t247 = t78 * t212; in func_pol()
2578 t262 = t212 * t229; in func_pol()
2893 t853 = t319 * t212; in func_pol()
[all …]
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| H A D | gga_x_pw91.c | 916 double t205, t206, t208, t209, t210, t211, t212, t213; in func_pol() local
1203 t212 = t74 * t74; in func_pol()
1204 t213 = t212 * t74; in func_pol()
1250 t297 = t212 * rho[1]; in func_pol()
1399 t531 = t212 * t220; in func_pol()
1402 t539 = t212 * t212; in func_pol()
1405 t547 = 0.1e1 / t76 / t212; in func_pol()
1787 t1290 = 0.1e1 / t75 / t212 * params->a * t103; in func_pol()
1877 t1489 = t539 * t212; in func_pol()
2231 t2794 = 0.1e1 / t212; in func_pol()
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwxc/maxima/f77/ |
| H A D | nwxcm_c_m05.F | 2734 t212 = 1/taub**2
6622 t212 = 1/rhoa**3
8535 t615 = 2.5d-1*t212*t38
8588 1 1*t212*t38*t93+5.0d-1*rhob*t169*t212*t93-1.25d-1*t38*t9
9863 1 5.0d-1*t212*t38*t93-5.0d-1*rhob*t169*t212*t93+1.25d-1*t
9865 3 20+1.0d+0*t212*t38+1.0d+0*rhob*t169*t212)*t91)*wght+Mma
10278 9 16+t215+t214+t213-rhoa*t212
12080 9 4+t223+t222+t221-rhoa*t212
13745 t212 = t109**2
14467 1 73*t212*t217*t58-4.0d+0*t111*t135*t212*t217*t58+1.60819
[all …]
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| H A D | nwxcm_c_b95.F | 1109 t212 = t1**2
1199 : 6*t212*t213*t65/rhoa**7.333333333333333d+0-9.777777777777
1222 3 ammabb*t125*t151*t212*t213*t65+2.6666666666666666d+0*gamm
1251 : 2222222d+1*t212*t213*t224*t65/rhob**7.333333333333333d+0-
1260 5 333333333d+0*gammaaa*t157*t212*t213*t65+2.666666666666666
1268 1 *t212*t213*t65-1.0d+0*t1*t126*t150*t2)*wght+Cmat2(iq,D2_R
1276 5 33333333333d+0*gammabb*t212*t213*t225*t65+2.6666666666666
1281 2 *t212*t213*t216*t65)*wght+Cmat2(iq,D2_GAA_GAA)
1283 Cmat2(iq,D2_GAA_GBB) = 2.0d+0*t2*t212*t213*t3*t65*wght+Cmat2
1289 2 *t212*t213*t238*t65)*wght+Cmat2(iq,D2_GBB_GBB)
[all …]
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/nwxc/maxima/f77/ |
| H A D | nwxcm_c_m05.F | 2734 t212 = 1/taub**2
6622 t212 = 1/rhoa**3
8535 t615 = 2.5d-1*t212*t38
8588 1 1*t212*t38*t93+5.0d-1*rhob*t169*t212*t93-1.25d-1*t38*t9
9863 1 5.0d-1*t212*t38*t93-5.0d-1*rhob*t169*t212*t93+1.25d-1*t
9865 3 20+1.0d+0*t212*t38+1.0d+0*rhob*t169*t212)*t91)*wght+Mma
10278 9 16+t215+t214+t213-rhoa*t212
12080 9 4+t223+t222+t221-rhoa*t212
13745 t212 = t109**2
14467 1 73*t212*t217*t58-4.0d+0*t111*t135*t212*t217*t58+1.60819
[all …]
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| H A D | nwxcm_c_b95.F | 1109 t212 = t1**2
1199 : 6*t212*t213*t65/rhoa**7.333333333333333d+0-9.777777777777
1222 3 ammabb*t125*t151*t212*t213*t65+2.6666666666666666d+0*gamm
1251 : 2222222d+1*t212*t213*t224*t65/rhob**7.333333333333333d+0-
1260 5 333333333d+0*gammaaa*t157*t212*t213*t65+2.666666666666666
1268 1 *t212*t213*t65-1.0d+0*t1*t126*t150*t2)*wght+Cmat2(iq,D2_R
1276 5 33333333333d+0*gammabb*t212*t213*t225*t65+2.6666666666666
1281 2 *t212*t213*t216*t65)*wght+Cmat2(iq,D2_GAA_GAA)
1283 Cmat2(iq,D2_GAA_GBB) = 2.0d+0*t2*t212*t213*t3*t65*wght+Cmat2
1289 2 *t212*t213*t238*t65)*wght+Cmat2(iq,D2_GBB_GBB)
[all …]
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| /dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/ |
| H A D | mgga_x_mbrxh_bg.c | 823 t265 = t212 * t216; in func_unpol()
831 t278 = t264 * t212; in func_unpol()
872 t352 = t124 * t212; in func_unpol()
929 t458 = t148 * t212; in func_unpol()
974 t578 = t569 * t212; in func_unpol()
1053 t735 = t726 * t212; in func_unpol()
1084 t782 = t201 * t212; in func_unpol()
1110 t840 = t195 * t212; in func_unpol()
1122 t864 = t71 * t212; in func_unpol()
1149 t918 = t212 * t79; in func_unpol()
[all …]
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| H A D | mgga_x_rtpss.c | 304 t212 = t105 * t209 * t211; in func_unpol()
3394 t212 = 0.1e1 / t211; in func_pol()
3634 t677 = t212 * t215; in func_pol()
4029 t1477 = t212 * t448 * t215; in func_pol()
4170 t1738 = t212 * t589 * t215; in func_pol()
4865 t3242 = t675 * t212; in func_pol()
4922 t3396 = t212 * t1064 * t215; in func_pol()
4929 t3412 = t212 * t1069 * t215; in func_pol()
6497 t8206 = t1464 * t212; in func_pol()
6837 t9896 = t1729 * t212; in func_pol()
[all …]
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| H A D | mgga_c_revscan.c | 6291 t726 = t201 * t212; in func_pol()
6338 t782 = t200 * t212; in func_pol()
6410 …piecewise3(t204, t886 + t888, -0.4658e1 * t890 * t212 + 0.2329e1 * t893 * t212 - 0.39593e1 * t898 … in func_pol()
6791 t1553 = t212 * t524; in func_pol()
7032 …ewise3(t204, t2040 + t2042, -0.4658e1 * t2044 * t212 + 0.2329e1 * t2047 * t212 - 0.39593e1 * t2050… in func_pol()
7144 t2200 = t212 * t512; in func_pol()
7269 t2381 = t212 * t674; in func_pol()
7272 t2385 = t212 * t666; in func_pol()
7353 t2504 = t212 * t494; in func_pol()
7380 t2556 = t212 * t498; in func_pol()
[all …]
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| H A D | mgga_x_revtm.c | 390 t212 = t100 * t123; in func_unpol()
2773 t445 = t212 * t212; in func_ferr()
2821 t595 = t279 * t212; in func_ferr()
2867 t726 = t331 * t212; in func_ferr()
3068 t1301 = t212 * t502; in func_ferr()
3073 t1311 = t445 * t212; in func_ferr()
3107 t1406 = t653 * t212; in func_ferr()
3188 t1765 = t771 * t212; in func_ferr()
3227 t1919 = t868 * t212; in func_ferr()
3228 t1930 = t836 * t212; in func_ferr()
[all …]
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| H A D | mgga_x_mn12.c | 373 t214 = t8 * t12 * t212; in func_unpol()
2263 t212 = t211 * t69; in func_ferr()
4307 t212 = 0.1e1 / t211; in func_pol()
4514 t601 = t187 * t212; in func_pol()
4522 t615 = t83 * t212; in func_pol()
4831 t1494 = t673 * t212; in func_pol()
4837 t1509 = t139 * t212; in func_pol()
4870 t1643 = t105 * t212; in func_pol()
5851 t5418 = t122 * t212; in func_pol()
5900 t5691 = t656 * t212; in func_pol()
[all …]
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| H A D | mgga_x_vt84.c | 509 t212 = t39 * sigma[0]; in func_unpol()
511 t214 = t212 * t213; in func_unpol()
664 t520 = t212 * t519; in func_unpol()
673 t536 = t212 * t535; in func_unpol()
1047 t1421 = t212 * t1420; in func_unpol()
1077 t1491 = t212 * t1490; in func_unpol()
3767 t212 = t98 * t98; in func_ferr()
4284 t1425 = t212 * t212; in func_ferr()
7395 t213 = t210 * t212; in func_pol()
7559 t483 = t482 * t212; in func_pol()
[all …]
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| H A D | mgga_x_tau_hcth.c | 680 double t199, t204, t209, t212, t215, t216, t227, t228; in func_ferr() local
847 vsigma[0] = -0.3e1 / 0.8e1 * t95 * t212; in func_ferr()
910 v2rhosigma[0] = -t344 * t212 / 0.2e1 - 0.3e1 / 0.8e1 * t95 * t396; in func_ferr()
1010 v3rho2sigma[0] = -t652 * t212 / 0.6e1 - t344 * t396 - 0.3e1 / 0.8e1 * t95 * t720; in func_ferr()
1144 …v4rho3sigma[0] = t1139 * t212 / 0.9e1 - t652 * t396 / 0.2e1 - 0.3e1 / 0.2e1 * t344 * t720 - 0.3e1 … in func_ferr()
1312 double t211, t212, t217, t218, t219, t221, t222, t223; in func_pol() local
1634 t212 = t211 * t52; in func_pol()
1645 …33333333e-4 * t62 * t204 + 0.34133333333333333334e-6 * t234 * t212 - 0.512e-6 * t66 * t212 + 0.204… in func_pol()
1656 …33333333e-4 * t36 * t204 + 0.34133333333333333334e-6 * t209 * t212 - 0.512e-6 * t48 * t212 + 0.204… in func_pol()
1943 …t212 - 0.17066666666666666667e-3 * t403 * t204 + 0.17066666666666666667e-5 * t62 * t212 - 0.409600… in func_pol()
[all …]
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| /dports/science/mpqc/mpqc-2.3.1/src/lib/chemistry/qc/oint3/ |
| H A D | i0333AB.cc | 215 double t212; in i0333eAB() local
931 t212=t190*t145; in i0333eAB()
932 t213=t212+t211; in i0333eAB()
934 t212=t211+t141; in i0333eAB()
935 int_v_list330[65]=t212; in i0333eAB()
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| H A D | i1333AB.cc | 215 double t212; in i1333eAB() local
931 t212=t190*t145; in i1333eAB()
932 t213=t212+t211; in i1333eAB()
934 t212=t211+t141; in i1333eAB()
935 int_v_list330[65]=t212; in i1333eAB()
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| H A D | i2333AB.cc | 215 double t212; in i2333eAB() local
918 t212=t190*t145; in i2333eAB()
919 t213=t212+t211; in i2333eAB()
921 t212=t211+t141; in i2333eAB()
922 int_v_list330[65]=t212; in i2333eAB()
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| H A D | i0313.cc | 215 double t212; in i0313() local
1035 t212=t211+t210; in i0313()
1036 int_v_list010[1]=t212; in i0313()
1037 t210=t32*t212; in i0313()
1043 t209=t51*t212; in i0313()
3740 t98=t6*t212; in i0313()
3748 t98=int_v_oo2zeta12*t212; in i0313()
3897 t2=t268*t212; in i0313()
3942 t11=t43*t212; in i0313()
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/xc/ |
| H A D | xc_xpbe_hole_t_c_lr.F | 858 t196, t197, t2, t200, t204, t207, t21, t211, t212, t213, t217, t22, t221, t225, t229, & local
986 t212 = t172*t21
990 prho = 0.9e1_dp/0.2e1_dp*t212*t213*t174 + 0.9e1_dp/0.4e1_dp*t14*t217 &
999 pndrho = 0.9e1_dp/0.2e1_dp*t212*t213*t225 + 0.9e1_dp/0.4e1_dp*t14* &
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| /dports/science/cp2k-data/cp2k-7.1.0/src/xc/ |
| H A D | xc_xpbe_hole_t_c_lr.F | 858 t196, t197, t2, t200, t204, t207, t21, t211, t212, t213, t217, t22, t221, t225, t229, & local
986 t212 = t172*t21
990 prho = 0.9e1_dp/0.2e1_dp*t212*t213*t174 + 0.9e1_dp/0.4e1_dp*t14*t217 &
999 pndrho = 0.9e1_dp/0.2e1_dp*t212*t213*t225 + 0.9e1_dp/0.4e1_dp*t14* &
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| /dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/dft/ |
| H A D | fun-hcth120.c | 599 real t211, t212, t213, t214, t215, t216, t217; in hcth120_second() local
883 t212 = 1/pow(rhoa,7.333333333333333); in hcth120_second()
1022 t30*t212-1.442084266666667*t26*t27*t211+1.025982151111111* in hcth120_second()
1032 t212*t66+1.25393664e-4*t21*t213*t65*t64+1.344674304e-4*t29* in hcth120_second()
1033 t212*t59*t64-7.26244992e-7*t21*t213*t63*t62-1.613025792e-6* in hcth120_second()
1035 t29*t212*t63*t137-1.878349824e-11*t29*t212*t60*t263)*t147+ in hcth120_second()
1232 real t211, t212, t213, t214, t215, t216, t217; in hcth120_third() local
1545 t212 = 1/pow(rhoa,12.66666666666667); in hcth120_third()
2652 real t211, t212, t213, t214, t215, t216, t217; in hcth120_fourth() local
3008 t212 = 1/pow(rhoa,12.66666666666667); in hcth120_fourth()
[all …]
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