| /dports/science/libxc/libxc-5.0.0/src/maple2c/gga_exc/ |
| H A D | gga_xc_th1.c | 636 double t6077, t6080, t6083, t6095, t6109, t6116, t6118, t6123; in func_pol() local
2287 t6116 = t5096 * t818; in func_pol()
2292 …t6130 = -0.640e3 / 0.27e2 * t6116 + 0.160e3 / 0.27e2 * t5101 * t6118 + 0.160e3 / 0.9e1 * t2338 * t… in func_pol()
2300 …160e3 / 0.27e2 * t76 * t6116 - 0.160e3 / 0.27e2 * t97 * t6116 - 0.160e3 / 0.27e2 * t102 * t6116 - … in func_pol()
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| H A D | gga_c_zvpbeint.c | 2556 double t6097, t6100, t6102, t6107, t6108, t6111, t6112, t6116; in func_pol() local
6890 t6116 = 0.14035736694323150897e2 * t262 * t1733 * t6112 * t248; in func_pol()
6902 … * t306 * t6102 + t6088 + t6091 + t6094 - t6097 - t6100 - t6108 - t6111 + t6116 + t6118 - t6125 - … in func_pol()
7012 …t6509 = t6088 + t6091 + t6094 - t6097 - t6100 - t6108 - t6111 + t6116 + t6118 - t6125 - t6127 - t6… in func_pol()
7550 …t8390 = t6088 + t6091 + t6094 - t6097 - t6100 + t7714 - t7718 - t6111 + t7721 - t7723 + t6116 + t7… in func_pol()
7721 …615 + 0.2e1 * t8166 * t963 + t6088 + t6091 + t6094 - t6097 - t6100 - t6111 + t6116 - t9216 + t9217; in func_pol()
7847 …t9781 = t6088 + t6091 + t6094 - t6097 - t6100 - t6111 - t9216 + t9217 + t6116 + t9251 - t9261 - t9… in func_pol()
8048 …63 - 0.3e1 * t9496 * t960 + t11092 + t6088 + t6091 + t6094 - t6097 - t6100 - t6111 + t6116 + t7723; in func_pol()
8092 …t11482 = t6088 + t6091 + t6094 - t6097 - t6100 - t6111 + t11092 + t7723 + t6116 - t7728 - t7730 - … in func_pol()
8245 … t12355 - t12362 - t12368 - t12372 + t6088 + t6091 + t6094 - t6097 - t6100 - t6111 + t6116 - t6118; in func_pol()
[all …]
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| H A D | gga_x_am05.c | 1786 double t6113, t6116, t6124, t6128, t6139, t6148, t6166, t6194; in func_pol() local
3696 t6116 = t952 * t2580; in func_pol()
3707 …6124 / 0.18e2 - t2216 * t6110 / 0.54e2 - t2220 * t6113 / 0.18e2 + t2220 * t6116 / 0.27e2 + t2704 *… in func_pol()
3801 …2 + t105 * t963 * t4386 * t2859 * t332 + t2585 * t6113 / 0.32e2 - t2585 * t6116 / 0.48e2 - t6631 *… in func_pol()
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| H A D | gga_c_lyp.c | 631 double t5982, t5987, t6004, t6022, t6048, t6105, t6116, t6131; in func_pol() local
2590 …t6116 = t256 * t2244 / 0.144e3 + t61 * t82 * t6105 / 0.576e3 + t3418 + 0.3e1 / 0.16e2 * t4913 + 0.… in func_pol()
2594 …+ t6022 * t90 / 0.576e3 + t2272 * t282 / 0.144e3 + t796 * t842 / 0.96e2 + t6116) - 0.4e1 / 0.3e1 *… in func_pol()
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| H A D | gga_c_pbe_vwn.c | 2129 double t6116, t6117, t6118, t6119, t6120, t6121, t6122, t6123; in func_pol() local
5086 t6116 = t1839 * t279; in func_pol()
5087 t6117 = t6116 / 0.6e1; in func_pol()
5412 t7393 = t6116 / 0.8e1; in func_pol()
5557 t7962 = t6116 / 0.12e2; in func_pol()
5761 t9414 = t6116 / 0.24e2; in func_pol()
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| H A D | gga_x_hjs_b88_v2.c | 231 double t6100, t6103, t6106, t6109, t6112, t6116, t6124, t6128; in func_unpol() local
2031 t6116 = t208 * t249 * t111; in func_unpol()
2093 …t6116 * t2089 * t632 - 0.112e3 / 0.27e2 * t611 * t1969 * t2230 + 0.8e1 / 0.9e1 * t611 * t616 * t61… in func_unpol()
2311 …47 - 0.2e1 / 0.3e1 * t6116 * t3124 * t618 * t289 * t22 + 0.4e1 / 0.9e1 * t6116 * t3048 * t2053 * t… in func_unpol()
2524 …+ 0.2e1 / 0.9e1 * t1134 * t7855 - 0.4e1 / 0.9e1 * t6116 * t3124 * t10337 * t22 + 0.8e1 / 0.27e2 * … in func_unpol()
2532 …t6116 * t3131 * t1573 - 0.4e1 / 0.27e2 * t10367 * t653 + 0.4e1 / 0.27e2 * t10367 * t649 - 0.2e1 / … in func_unpol()
2849 …0 * t1224 + t6116 * t5182 * t632 / 0.96e2 - t6116 * t4080 * t13651 / 0.6e1 + t5336 * t4143 / 0.24e… in func_unpol()
2874 …1134 * t11284 / 0.3e1 - t1566 * t1155 * t3017 / 0.12e2 - t6116 * t5182 * t2272 / 0.32e2 + t6116 * … in func_unpol()
3048 …t6116 * t5182 * t13651 / 0.12e2 + 0.5e1 / 0.64e2 * t15370 * t1568 + t1566 * t1567 * t10348 / 0.8e1… in func_unpol()
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| H A D | gga_c_op_pw91.c | 952 double t6114, t6116, t6120, t6131, t6140, t6142, t6146, t6151; in func_pol() local
3282 t6116 = t146 * t968; in func_pol()
3288 …12 - 0.36066308400000000000e1 * t6114 + 0.60110514000000000000e0 * t283 * t6116 * t2125 + 0.240442… in func_pol()
3940 …000000e0 * t673 * t674 * t3190 * t469 + 0.40073676000000000000e0 * t283 * t6116 * t3049 - 0.267157… in func_pol()
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| H A D | gga_c_revtca.c | 1397 double t6110, t6111, t6116, t6119, t6120, t6123, t6124, t6128; in func_pol() local
4486 t6116 = t1840 * t36; in func_pol()
4487 t6119 = 0.10442907827923363399e-1 * t5654 * t6116 * t3321; in func_pol()
6239 t10555 = t10305 * t6116 * t2097; in func_pol()
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| H A D | gga_c_pw91.c | 2128 double t6112, t6113, t6114, t6115, t6116, t6117, t6118, t6121; in func_pol() local
5830 t6116 = 0.12500e5 / 0.9e1 * t5995; in func_pol()
5832 …01 - t6104 - t6107 - t6110 + t6113 - t5915 - t6114 + t5917 - t6115 + t5919 + t6116 - t5921 + t6117; in func_pol()
9177 …t19238 = -t5916 - t5918 + t5920 + t5922 - t6110 - t6114 - t6115 + t6116 + t5899 + t6072 - t5910 - … in func_pol()
9267 …5506928860942058298e-1 * t6052 + 0.10337952573961372198e-1 * t6059 - t6114 - t6115 + t6116 + t6117; in func_pol()
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/xc/ |
| H A D | xc_xbecke88_lr_adiabatic.F | 390 t6112, t6116, t6119, t6123, t6126, t6129, t6132, t6136, t6138, t614, t6141, t6144, t615, & local
2642 t6116 = 0.3600000000e2_dp*t1971*t471*t20*t5713
2655 t6162 = t6094 + t6099 + t6102 + t6106 - t6109 + t6112 - t6116 + t6119 &
2778 *t165*t56*t6291*t140 + t6106 - t6109 + t6112 - t6116 &
3169 t6112, t6116, t6119, t6123, t6126, t6129, t6132, t6136, t6138, t614, t6141, t6144, t615, & local
5418 t6116 = 0.3600000000e2_dp*t1971*t471*t20*t5713
5431 t6162 = t6094 + t6099 + t6102 + t6106 - t6109 + t6112 - t6116 + t6119 &
5554 *t165*t56*t6291*t140 + t6106 - t6109 + t6112 - t6116 &
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| /dports/science/cp2k-data/cp2k-7.1.0/src/xc/ |
| H A D | xc_xbecke88_lr_adiabatic.F | 390 t6112, t6116, t6119, t6123, t6126, t6129, t6132, t6136, t6138, t614, t6141, t6144, t615, & local
2642 t6116 = 0.3600000000e2_dp*t1971*t471*t20*t5713
2655 t6162 = t6094 + t6099 + t6102 + t6106 - t6109 + t6112 - t6116 + t6119 &
2778 *t165*t56*t6291*t140 + t6106 - t6109 + t6112 - t6116 &
3169 t6112, t6116, t6119, t6123, t6126, t6129, t6132, t6136, t6138, t614, t6141, t6144, t615, & local
5418 t6116 = 0.3600000000e2_dp*t1971*t471*t20*t5713
5431 t6162 = t6094 + t6099 + t6102 + t6106 - t6109 + t6112 - t6116 + t6119 &
5554 *t165*t56*t6291*t140 + t6106 - t6109 + t6112 - t6116 &
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| /dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/ |
| H A D | mgga_c_tpssloc.c | 1932 t6116 = t264 * t418; in func_unpol()
11767 t6116 = t1380 * t6115; in func_pol()
11768 t6117 = t4570 * t6116; in func_pol()
11925 t6381 = t5133 * t6116; in func_pol()
18542 t23940 = t16437 * t6116; in func_pol()
18543 t23942 = t16463 * t6116; in func_pol()
18544 t23944 = t16962 * t6116; in func_pol()
19059 t24985 = t18301 * t6116; in func_pol()
19060 t24987 = t17951 * t6116; in func_pol()
19061 t24989 = t18307 * t6116; in func_pol()
[all …]
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| H A D | mgga_x_scanl.c | 277 double t6103, t6106, t6109, t6112, t6116, t6120, t6129, t6130; in func_unpol() local
2705 t6116 = t645 * t1603; in func_unpol()
3906 t13616 = t2012 * t6116 * t254; in func_unpol()
4546 t18540 = t2012 * t6116 * t371; in func_unpol()
4568 t18682 = t6116 * t2446; in func_unpol()
11096 double t6116, t6117, t6118, t6123, t6124, t6127, t6128, t6131; in func_pol() local
15219 t6116 = t2042 * t574; in func_pol()
16485 …t9527 = -0.42504258063891829882e0 * t6116 * t9494 - 0.54895099374677576129e-1 * t2055 * t7209 - 0.… in func_pol()
19141 …930e1 * t20172 * t6118 - 0.12751277419167548965e1 * t6116 * t16549 - 0.12751277419167548965e1 * t6… in func_pol()
20239 …t6116 * t26337 - 0.21958039749871030452e0 * t2055 * t20552 + 0.90330597678095682346e-1 * t26342 * … in func_pol()
[all …]
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| H A D | mgga_xc_cc06.c | 1151 double t6112, t6115, t6116, t6117, t6124, t6128, t6131, t6145; in func_pol() local
4072 t6116 = t104 * t37; in func_pol()
4073 t6117 = t6116 * t255; in func_pol()
4095 t6204 = t6116 * t295; in func_pol()
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| H A D | mgga_x_sa_tpss.c | 281 double t6096, t6100, t6110, t6111, t6112, t6115, t6116, t6117; in func_unpol() local
2550 t6116 = t964 * t468; in func_unpol()
2551 t6117 = t6116 * t501; in func_unpol()
2718 …/ 0.3e1 - 0.75e2 / 0.16e2 * t2473 * t750 * t2032 - 0.5e1 / 0.6e1 * t467 * t6116 * t83 + t133 * t61… in func_unpol()
3999 double t6083, t6089, t6090, t6102, t6107, t6108, t6116, t6117; in func_ferr() local
6142 t6116 = t1550 * t5151 * t110; in func_ferr()
6357 …* t2846 * t783 - 0.4e1 / 0.3e1 * t2479 * t2841 * t783 + 0.125e3 / 0.9e1 * t6116 * t7224 + 0.125e3 … in func_ferr()
7667 double t6107, t6111, t6116, t6120, t6123, t6126, t6131, t6137; in func_pol() local
10738 t6116 = t1250 * t904 * t1287; in func_pol()
10809 …v3rho2tau[5] = -0.4e1 / 0.3e1 * t6089 - t6063 - t6099 - t565 * t6116 / 0.6e1 - t565 * t6120 - t565… in func_pol()
[all …]
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| H A D | hyb_mgga_x_js18.c | 241 double t6115, t6116, t6119, t6120, t6121, t6122, t6126, t6127; in func_unpol() local
2255 t6116 = 0.162e3 * t6115; in func_unpol()
2258 …5 * t6044 + 0.18e2 * t4466 * t508 - 0.324e3 * t764 * t6112 + t2007 - t6087 + t6108 - t6116 + t6120; in func_unpol()
8713 double t6099, t6103, t6105, t6108, t6110, t6112, t6116, t6117; in func_pol() local
12342 t6116 = 0.146e3 / 0.135e3 * t225 * t5857; in func_pol()
12343 … / 0.9720e4 * t6105 - 0.73e2 / 0.9720e4 * t6108 - t6112 + 0.292e3 / 0.135e3 * t222 * t5855 + t6116; in func_pol()
16631 t22294 = t22285 - 0.73e2 / 0.3240e4 * t22287 - t22291 - t6112 + t22293 + t6116; in func_pol()
16959 …* t23264 - t6112 + 0.584e3 / 0.135e3 * t6551 * t1356 + t23269 - 0.73e2 / 0.9720e4 * t23271 + t6116; in func_pol()
23476 …t72734 = t18114 - t23252 + t23258 + t23269 - t6112 + t6116 + 0.584e3 / 0.135e3 * t6551 * t4300 + 0… in func_pol()
24331 …0.4860e4 * t22290 - t6112 + 0.1168e4 / 0.135e3 * t22292 + 0.292e3 / 0.45e2 * t222 * t78600 + t6116; in func_pol()
[all …]
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| H A D | mgga_x_pbe_gx.c | 2673 double t6061, t6071, t6076, t6081, t6086, t6098, t6116, t6123; in func_pol() local
5743 …t6116 = 0.2e1 / 0.3e1 * t5329 + 0.2e1 / 0.9e1 * t5332 - 0.2e1 / 0.3e1 * t5654 - 0.2e1 * t5657 - 0.… in func_pol()
5744 …6e-6 * t1986 - 0.12186588000000000000e-1 * t1989 - 0.2e1 * t1993 + t10 * (t6116 + t6061 + t6007 + … in func_pol()
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| H A D | mgga_x_ms.c | 2934 double t6044, t6048, t6079, t6087, t6102, t6107, t6116, t6127; in func_pol() local
5760 …t6116 = 0.50e2 / 0.9e1 * t1658 * t808 * t600 * t421 + 0.25e2 / 0.36e2 * t612 * t2086 + 0.25e2 / 0.… in func_pol()
5768 …34 - 0.3e1 / 0.8e1 * t274 * t299 * (t5872 + t5917 + t5953 + t5994 + t6043 + t6079 + t6116 + t6158); in func_pol()
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| H A D | mgga_c_m05.c | 3276 double t6109, t6110, t6112, t6114, t6116, t6118, t6120, t6122; in func_pol() local
7391 t6116 = t1753 * t2365; in func_pol()
7407 …* t6112 + 0.51817833333333333333e-1 * t6114 + 0.51817833333333333333e-1 * t6116 + 0.41454266666666… in func_pol()
11069 …1 * t6112 + 0.10363566666666666667e0 * t6114 + 0.10363566666666666667e0 * t6116 + 0.82908533333333… in func_pol()
11467 …1 * t6112 + 0.15545349999999999999e0 * t6114 + 0.15545349999999999999e0 * t6116 + 0.12436280000000… in func_pol()
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| H A D | mgga_x_revtm.c | 198 double t6098, t6101, t6104, t6107, t6110, t6113, t6116, t6119; in func_unpol() local
1744 t6116 = t2256 * t123; in func_unpol()
1747 …* t6107 - 0.12e2 * t553 * t6110 - 0.24e2 * t553 * t6113 - 0.24e2 * t553 * t6116 + 0.108e3 * t545 *… in func_unpol()
1767 …t529 * t680 + 0.36e2 * t6107 + 0.18e2 * t6110 + 0.36e2 * t6113 + 0.36e2 * t6116 + 0.18e2 * t6129 +… in func_unpol()
1779 …* t6107 + 0.12e2 * t133 * t6110 + 0.24e2 * t133 * t6113 + 0.24e2 * t133 * t6116 + 0.12e2 * t133 * … in func_unpol()
|
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/tools/Fun2D/ |
| H A D | mpfr_yukawa.f90 | 848 t6059,t6067,t6070,t6074,t6076,t6095,t6103,t6111,t6116,t6124,t6126,t6131,& local
3820 t6116 = t3817 * t5269 * t4979
3826 … / .CONVERT."0.2048D4" * t6116 - .CONVERT."0.70236416250D11" * t3936 + .CONVERT."0.31216185D8" &
4481 …t7579 = .CONVERT."-0.56303426804625D14" / .CONVERT."0.2048D4" * t6116 + .CONVERT."0.351182081250D1…
5247 …"0.2730D4" * t328 + .CONVERT."0.56303426804625D14" / .CONVERT."0.256D3" * t6116 - .CONVERT."0.1404…
6115 / .CONVERT."0.256D3" * t6116 + .CONVERT."0.4776076305000D13" * t3936 &
6826 …* t12567 + .CONVERT."0.2871474767035875D16" / .CONVERT."0.512D3" * t6116 - .CONVERT."0.14328228915…
8615 / .CONVERT."0.512D3" * t6116 + .CONVERT."0.406980D6" * t9152 + .CONVERT."0.12963635685D11" &
9374 ….CONVERT."0.256D3" * t6116 - .CONVERT."0.97227267637500D14" * t3936 + .CONVERT."0.159258264390225D…
11214 ….CONVERT."0.256D3" * t6116 + .CONVERT."0.226863624487500D15" * t3936 - .CONVERT."0.111480785073157…
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| /dports/science/cp2k-data/cp2k-7.1.0/tools/Fun2D/ |
| H A D | mpfr_yukawa.f90 | 848 t6059,t6067,t6070,t6074,t6076,t6095,t6103,t6111,t6116,t6124,t6126,t6131,& local
3820 t6116 = t3817 * t5269 * t4979
3826 … / .CONVERT."0.2048D4" * t6116 - .CONVERT."0.70236416250D11" * t3936 + .CONVERT."0.31216185D8" &
4481 …t7579 = .CONVERT."-0.56303426804625D14" / .CONVERT."0.2048D4" * t6116 + .CONVERT."0.351182081250D1…
5247 …"0.2730D4" * t328 + .CONVERT."0.56303426804625D14" / .CONVERT."0.256D3" * t6116 - .CONVERT."0.1404…
6115 / .CONVERT."0.256D3" * t6116 + .CONVERT."0.4776076305000D13" * t3936 &
6826 …* t12567 + .CONVERT."0.2871474767035875D16" / .CONVERT."0.512D3" * t6116 - .CONVERT."0.14328228915…
8615 / .CONVERT."0.512D3" * t6116 + .CONVERT."0.406980D6" * t9152 + .CONVERT."0.12963635685D11" &
9374 ….CONVERT."0.256D3" * t6116 - .CONVERT."0.97227267637500D14" * t3936 + .CONVERT."0.159258264390225D…
11214 ….CONVERT."0.256D3" * t6116 + .CONVERT."0.226863624487500D15" * t3936 - .CONVERT."0.111480785073157…
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| /dports/science/libxc/libxc-5.0.0/src/maple2c/lda_exc/ |
| H A D | lda_xc_ksdt.c | 6987 t6116 = t413 * t27; in func_pol()
7275 t6780 = t746 * t6116 * t2074; in func_pol()
7479 t7209 = t746 * t6116 * t2961; in func_pol()
8036 t8596 = t6116 * t2685; in func_pol()
9351 t12165 = t746 * t6116 * t4035; in func_pol()
10956 t17176 = t746 * t6116 * t4989; in func_pol()
11486 t18865 = t6116 * t5342; in func_pol()
12521 t22403 = t6116 * t8602; in func_pol()
13773 t27249 = t746 * t6116 * t7146; in func_pol()
14645 t31242 = t6116 * t11572; in func_pol()
[all …]
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| H A D | lda_c_pk09.c | 2576 double t6116, t6118, t6120, t6122, t6123, t6127, t6136, t6141; in func_pol() local
5395 t6116 = 0.21943705410881576963e1 * t351 * t4849; in func_pol()
5400 …5 + 0.16183441301295518889e1 * t6111 + 0.14760499452555381778e1 * t6113 + t6116 + t6118 - 0.981326… in func_pol()
6478 …43e0 * t1380 * t2482 + 0.73802497262776908890e0 * t6113 - t5664 * t2495 + t6116 - t1616 * t10424 -… in func_pol()
6943 …- 0.54002451419461894666e1 * t14008 + 0.14719898920866039445e2 * t14010 + t6116 - 0.98403329683702… in func_pol()
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| H A D | lda_c_pmgb06.c | 1675 double t6105, t6106, t6108, t6109, t6111, t6116, t6118, t6119; in func_pol() local
5655 t6116 = t331 * t2405; in func_pol()
5685 …+ t4662 - 0.25188888888888888890e-2 * t4664 - 0.41981481481481481483e-3 * t6116 + 0.20990740740740… in func_pol()
5717 …- 0.39990740740740740742e-1 * t6121 - t3632 + 0.79981481481481481483e-2 * t6116 - 0.23994444444444… in func_pol()
6136 …t7271 = t3376 + 0.25188888888888888889e-2 * t4657 - 0.12594444444444444445e-2 * t6116 + 0.37783333… in func_pol()
6152 …t7305 = 0.35991666666666666666e-1 * t6141 + 0.23994444444444444444e-1 * t6116 - 0.7198333333333333… in func_pol()
|