| /dports/science/libxc/libxc-5.0.0/src/maple2c/gga_exc/ |
| H A D | gga_c_lyp.c | 568 double t3329, t3331, t3333, t3335, t3339, t3342, t3344, t3346; in func_pol() local
2074 t3344 = t407 * t578; in func_pol()
2085 …+ t3323 / 0.18e2 + t3339) + 0.4928e4 / 0.27e2 * t3342 - 0.176e3 / 0.3e1 * t3344 + 0.32e2 / 0.3e1 *… in func_pol()
2271 …+ 0.1232e4 / 0.27e2 * t3896 + 0.1232e4 / 0.9e1 * t3342 - 0.88e2 / 0.3e1 * t3344 + 0.8e1 / 0.3e1 * … in func_pol()
2403 … 0.2464e4 / 0.27e2 * t3896 + 0.2464e4 / 0.27e2 * t3342 - 0.88e2 / 0.9e1 * t3344 - t3352 - t60 * (t… in func_pol()
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| H A D | gga_c_tca.c | 913 double t3338, t3339, t3340, t3341, t3343, t3344, t3345, t3346; in func_pol() local
2553 t3344 = 0.96757021936209228358e-5 * t3283; in func_pol()
2555 … t3337 + t3338 - t3339 + t3340 + t3341 - 0.76082385257778988281e-1 * t3276 - t3343 - t3344 + t3345; in func_pol()
2694 …t3495 = t3341 - t3343 - t3344 + t3345 - t3349 - t3350 - t3352 - t3354 + t3355 - t3356 + t3358 - t3… in func_pol()
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| H A D | gga_x_ev93.c | 950 double t3344, t3347, t3350, t3353, t3354, t3363, t3373, t3381; in func_pol() local
2515 t3344 = t170 * t380 * t1292; in func_pol()
2519 …92 * t412 * t413 * t457 / 0.2e1 + t3336 / 0.6e1 - t3339 / 0.6e1 + t3342 + t3344 / 0.2e1 + t3347 / … in func_pol()
2540 …+ 0.2e1 / 0.3e1 * t3336 - 0.2e1 / 0.3e1 * t3339 + 0.4e1 * t3342 + 0.2e1 * t3344 + 0.2e1 * t3347 - … in func_pol()
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| H A D | gga_x_lag.c | 837 double t3340, t3342, t3344, t3346, t3348, t3352, t3353, t3372; in func_pol() local
2779 t3344 = t328 * t1229; in func_pol()
2782 … t3340 + 0.76677658406952053320e-10 * t3342 + 0.23986495115956186702e-2 * t3344 - 0.89921431391802… in func_pol()
2849 …t3790 = 0.95945980463824746807e-2 * t3344 - 0.35968572556720988291e-5 * t3346 - 0.2178286189686814… in func_pol()
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| H A D | gga_c_p86.c | 987 double t3304, t3308, t3312, t3325, t3332, t3344, t3345, t3349; in func_pol() local
2596 …t3344 = t3041 - t3042 + 0.7e1 / 0.3e1 * t3282 - 0.7e1 / 0.2e1 * t3284 + 0.21338841562500000000e-2 … in func_pol()
2598 …2 * t1253 + t3193 - 0.4e1 * t1257 - t1229 + t1232 + t7 * (t3325 + t3332 + t3344 + t3345) + t3092 -… in func_pol()
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| H A D | gga_c_revtca.c | 1295 double t3332, t3333, t3335, t3339, t3340, t3344, t3345, t3350; in func_pol() local
3655 t3344 = 0.89217629877819364392e-1 * t14 * t731 * t476 * t767; in func_pol()
3659 …- t3324 + t3328 - t3330 + t3332 + 0.13240091397449894583e2 * t3335 - t3340 + t3344 + t3350 + t3354; in func_pol()
3812 …3324 + t3328 - t3330 + t3332 + 0.66200456987249472917e1 * t3335 - t3861 + t3344 + 0.44027089779786… in func_pol()
3917 …3324 + t3328 - t3330 + t3332 + 0.22066818995749824306e1 * t3335 - t3861 + t3344 + 0.88054179559572… in func_pol()
3978 …t4824 = -t3340 + t3344 + 0.13208126933935907881e-3 * t3865 - 0.52810019029897523592e-2 * t3870 + 0… in func_pol()
3998 …t5002 = t3328 - t3330 + t3332 + t3344 + 0.17610835911914543841e-3 * t3865 - 0.70413358706530031456… in func_pol()
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| H A D | gga_x_htbs.c | 1181 double t3330, t3333, t3336, t3339, t3342, t3344, t3350, t3360; in func_pol() local
2456 …t3344 = -t3282 / 0.6e1 - t584 * t1315 * t8 * t638 / 0.2e1 - t3289 / 0.6e1 + t7 * t1074 * t238 * t1… in func_pol()
2457 …t3350 = t1362 - t1369 + t1091 + t1111 + t9 * (t3203 + t3224 + t3280 + t3344) + t1114 - t2701 - t27… in func_pol()
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| H A D | gga_x_sfat_pbe.c | 158 double t3341, t3344, t3347, t3353, t3359, t3363, t3364, t3370; in func_unpol() local
1258 t3344 = t2559 * t3176; in func_unpol()
1262 …1145659148281143e-4 * t3326 * t3341 - 0.57395496140590033506e-6 * t3331 * t3344 - 0.26637101869658… in func_unpol()
1312 …28 * t3332 - 0.11410449055451513572e-5 * t3825 * t3341 + 0.53808277631803156414e-7 * t3828 * t3344; in func_unpol()
3330 double t3338, t3339, t3340, t3341, t3343, t3344, t3345, t3346; in func_pol() local
5214 t3344 = t1442 * t609; in func_pol()
5215 t3345 = t310 * t3344; in func_pol()
6885 …81e-2 * t308 * t3320 * t1990 - 0.29562081382197517859e-2 * t3343 * t873 * t3344 - 0.59124162764395… in func_pol()
7279 …63e-1 * t308 * t4838 * t887 - 0.19708054254798345239e-2 * t3343 * t1436 * t3344 - 0.39416108509596… in func_pol()
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| H A D | gga_c_op_pbe.c | 821 double t3336, t3337, t3344, t3347, t3350, t3351, t3360, t3361; in func_pol() local
2625 t3344 = t619 * t689; in func_pol()
2629 …50000000000000000000e0 * t127 * t814 - 0.39829492028067751382e-4 * t166 * t3344 - 0.61615882076043… in func_pol()
4438 t12220 = t444 * t3344; in func_pol()
4439 …873390954595916211e-4 * t1898 * t807 - 0.39829492028067751382e-4 * t448 * t3344 - 0.61615882076043… in func_pol()
4559 …t13200 = 0.70287338873060737733e-5 * t2186 * t802 - 0.79658984056135502764e-4 * t573 * t3344 - 0.1… in func_pol()
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| H A D | gga_c_op_pw91.c | 865 double t3336, t3337, t3342, t3343, t3344, t3349, t3350, t3356; in func_pol() local
2532 t3344 = t791 * t3343; in func_pol()
2548 …t3389 = 0.10018419000000000000e0 * t283 * t3344 + 0.10018419000000000000e0 * t670 * t1071 + 0.1001… in func_pol()
4044 t11290 = t667 * t3344; in func_pol()
4052 …0018419000000000000e0 * t1846 * t1067 + 0.20036838000000000000e0 * t670 * t3344 + 0.18033154200000… in func_pol()
4277 …0018419000000000000e0 * t2269 * t1067 + 0.10018419000000000000e0 * t825 * t3344 + 0.10018419000000… in func_pol()
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| H A D | gga_c_op_b88.c | 809 double t3335, t3336, t3339, t3340, t3343, t3344, t3347, t3348; in func_pol() local
2474 t3344 = t2988 * t3343; in func_pol()
2475 …t207 * t3336 + 0.20006410000000000000e0 * t3026 * t3340 + 0.66688033333333333333e-1 * t841 * t3344; in func_pol()
4058 …6410000000000000e0 * t10617 * t3340 + 0.66688033333333333333e-1 * t2961 * t3344 + 0.20006410000000… in func_pol()
4071 t12149 = t2980 * t3344; in func_pol()
4269 …12820000000000000e0 * t11918 * t3340 + 0.13337606666666666667e0 * t3324 * t3344 - 0.80025640000000… in func_pol()
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| H A D | gga_c_scan_e0.c | 1564 double t3335, t3336, t3337, t3339, t3340, t3342, t3343, t3344; in func_pol() local
3722 t3344 = t3340 * t3343; in func_pol()
3772 …v3rhosigma2[0] = t3330 + 0.71518739786987016352e-4 * t3337 + 0.16091716452072078679e-3 * t3344 + t… in func_pol()
3776 t3411 = 0.32183432904144157358e-3 * t3344; in func_pol()
3797 …v3rhosigma2[3] = t3422 + 0.28607495914794806540e-3 * t3337 + 0.64366865808288314715e-3 * t3344 + t… in func_pol()
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| H A D | gga_x_chachiyo.c | 1402 double t3316, t3317, t3319, t3323, t3324, t3344, t3345, t3356; in func_pol() local
4074 t3344 = 0.1e1 / t25 / t1913; in func_pol()
4075 t3345 = sigma[0] * t3344; in func_pol()
4206 …* t3319 - 0.3e1 / 0.8e1 * t16 * t17 * (0.41888e5 / 0.6561e4 * t20 * t22 * t3344 + 0.3640e4 / 0.218… in func_pol()
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/xc/ |
| H A D | xc_xbecke88_lr_adiabatic.F | 336 REAL(KIND=dp) :: t3339, t3344, t3347, t3352, t3353, t3356, t3357, t336, t3362, t3363, t3366, & local
1761 t3344 = t953*t1425
1775 + 0.2133333334e2_dp*t339*t769 - 0.2133333334e2_dp*t321*t3344 + &
1870 t3344 + 0.3911111110e2_dp*t962*t2611*t614 - 0.5475555556e3_dp*t24 &
3115 REAL(kind=dp) :: t3344, t3347, t3352, t3353, t3356, t3357, t336, t3362, t3363, t3366, t3378, & local
4537 t3344 = t953*t1425
4551 + 0.2133333334e2_dp*t339*t769 - 0.2133333334e2_dp*t321*t3344 + &
4646 t3344 + 0.3911111110e2_dp*t962*t2611*t614 - 0.5475555556e3_dp*t24 &
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| /dports/science/cp2k-data/cp2k-7.1.0/src/xc/ |
| H A D | xc_xbecke88_lr_adiabatic.F | 336 REAL(KIND=dp) :: t3339, t3344, t3347, t3352, t3353, t3356, t3357, t336, t3362, t3363, t3366, & local
1761 t3344 = t953*t1425
1775 + 0.2133333334e2_dp*t339*t769 - 0.2133333334e2_dp*t321*t3344 + &
1870 t3344 + 0.3911111110e2_dp*t962*t2611*t614 - 0.5475555556e3_dp*t24 &
3115 REAL(kind=dp) :: t3344, t3347, t3352, t3353, t3356, t3357, t336, t3362, t3363, t3366, t3378, & local
4537 t3344 = t953*t1425
4551 + 0.2133333334e2_dp*t339*t769 - 0.2133333334e2_dp*t321*t3344 + &
4646 t3344 + 0.3911111110e2_dp*t962*t2611*t614 - 0.5475555556e3_dp*t24 &
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| /dports/science/libxc/libxc-5.0.0/src/maple2c/lda_exc/ |
| H A D | lda_c_vwn.c | 880 double t3267, t3269, t3271, t3321, t3341, t3342, t3344, t3346; in func_pol() local
2191 …t3344 = -t3271 / 0.12e2 - t53 * t3321 * t78 / 0.24e2 - t3076 / 0.6e1 - t3079 / 0.12e2 - t3085 / 0.… in func_pol()
2200 …4 + t2915 + t2916 + t7 * (t3191 + t3196 + t3199 + t3214 + t3230 + t3269 + t3344 + t3367) + t2917 -… in func_pol()
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/tools/Fun2D/ |
| H A D | mpfr_cutoff_gamma.f90 | 261 t3330,t3336,t3344,t3350,t3351,t3366,t3380,t3394,t3408,t3423,t3433,t3438 local
1812 …t3344 = .CONVERT."0.6372720640E10" * t3330 - .CONVERT."0.66028773888000E14" * t981 + .CONVERT."0.3…
1823 + t2933 + t3071 + t3315 + t3274 + t3344 + t2895 + t3198 + t3131) / &
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| /dports/science/cp2k-data/cp2k-7.1.0/tools/Fun2D/ |
| H A D | mpfr_cutoff_gamma.f90 | 261 t3330,t3336,t3344,t3350,t3351,t3366,t3380,t3394,t3408,t3423,t3433,t3438 local
1812 …t3344 = .CONVERT."0.6372720640E10" * t3330 - .CONVERT."0.66028773888000E14" * t981 + .CONVERT."0.3…
1823 + t2933 + t3071 + t3315 + t3274 + t3344 + t2895 + t3198 + t3131) / &
|
| /dports/science/libxc/libxc-5.0.0/src/maple2c/mgga_exc/ |
| H A D | mgga_x_msb.c | 3092 double t3329, t3331, t3332, t3334, t3339, t3341, t3344, t3345; in func_pol() local
4940 t3344 = t2054 * t2512; in func_pol()
4945 … / 0.2e1 - t3331 + t3334 + t122 * t3339 - 0.3e1 * t2513 * t3341 + 0.3e1 * t3344 * t3346 - 0.5e1 * … in func_pol()
6119 …t2513 * t3670 * t2514 + 0.15e2 * t3344 * t2520 * t714 * tau[1] + 0.60e2 * t2525 * t7168 * t2526 + … in func_pol()
6374 …au[1] + 0.20e2 * t3344 * t2520 * t3345 * tau[1] + 0.16e2 * t2513 * t3670 * t2435 - 0.9e1 * t8939 *… in func_pol()
6380 …t3344 * t1231 * t930 * t285 - 0.6e1 * t8991 * t2515 + 0.20e2 * t670 * t8990 * t2522 - 0.10e2 * t89… in func_pol()
6832 …* t8997 * t3350 - 0.9e1 / 0.2e1 * t2513 * t1231 * t9215 + 0.9e1 / 0.2e1 * t3344 * t1231 * t1176 * … in func_pol()
6833 …27e2 / 0.2e1 * t8939 * t1231 * t1164 * t285 + 0.9e1 * t3344 * t1231 * t342 * t930 + 0.15e2 * t3344… in func_pol()
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| H A D | mgga_x_m06l.c | 2846 double t3335, t3338, t3342, t3344, t3345, t3347, t3351, t3354; in func_pol() local
4440 t3344 = t29 * t1017; in func_pol()
4441 t3345 = t1053 * t3344; in func_pol()
4442 t3347 = t1010 * t3344; in func_pol()
4445 t3356 = t1028 * t3344; in func_pol()
5813 …t7479 + 0.89628480000000000000e0 * t2268 * t7482 + 0.6722136e-1 * t2263 * t3344 + 0.2240712e-1 * t… in func_pol()
5815 …e1 * t589 * t7531 + 0.3361068e-1 * t6071 * t1418 + 0.3361068e-1 * t2603 * t3344 + 0.1120356e-1 * t… in func_pol()
6108 …t9362 = 0.4481424e-1 * t3413 * t3344 - 0.4183991889120e-3 * t6074 * t4388 - 0.209199594456e-4 * t2… in func_pol()
6238 …t4412 - 0.54772960000000000000e-1 * t1711 * t837 + 0.2240712e-1 * t3935 * t3344 + 0.36261263039040… in func_pol()
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| H A D | mgga_x_m11.c | 127 double t3338, t3341, t3344, t3345, t3355, t3367, t3384, t3390; in func_unpol() local
1054 t3344 = t63 * t10; in func_unpol()
1055 t3345 = t3344 * t337; in func_unpol()
1203 …* t821 - 0.13526402032243046443e-5 * t3390 * t3338 * t3341 * t150 * t59 * t3344 + 0.67678132437273… in func_unpol()
1211 …gma[0] + 0.50724007620911424162e-6 * t3390 * t4322 * t150 * t1598 * t59 * t3344 - 0.15573661157440… in func_unpol()
1266 …t5163 = -0.19021502857841784061e-6 * t3390 * t5124 * t150 * t634 * t59 * t3344 + 0.279460374090199… in func_unpol()
3008 double t3329, t3334, t3339, t3344, t3351, t3356, t3358, t3360; in func_pol() local
4786 t3344 = t288 * t249; in func_pol()
4788 …339 + 0.25e2 / 0.3e1 * t821 * t3339 + 0.25e2 / 0.3e1 * t281 * t3344 + 0.10e2 * t828 * t3344 + 0.10… in func_pol()
4795 …324 + 0.55e2 / 0.3e1 * t341 * t3302 + 0.25e2 / 0.3e1 * t329 * t3344 + 0.10e2 * t906 * t3344 + 0.10… in func_pol()
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| H A D | mgga_x_scan.c | 145 double t3238, t3246, t3250, t3260, t3316, t3338, t3341, t3344; in func_unpol() local
1229 t3344 = t412 * t33; in func_unpol()
1240 … 0.125e3 / 0.648e3 * t690 * t3341 - 0.3125e4 / 0.13122e5 * t2629 * t652 * t3344 + 0.2500e4 / 0.218… in func_unpol()
1258 … 0.125e3 / 0.81e2 * t768 * t3341 + 0.12500e5 / 0.6561e4 * t2629 * t1683 * t3344 - 0.16250e5 / 0.21… in func_unpol()
1304 ….1000e4 / 0.81e2 * t820 * t3341 - 0.100000e6 / 0.6561e4 * t2629 * t1800 * t3344 + 0.100000e6 / 0.2… in func_unpol()
3190 double t3329, t3339, t3340, t3342, t3343, t3344, t3345, t3347; in func_pol() local
5418 t3344 = 0.49479000000000000000e1 * t3343; in func_pol()
5453 …t3383 = t3340 - t3344 + t3349 - t3351 + t3353 - t3355 + t3359 - t3362 - t3363 + t3364 - t3365 - t3… in func_pol()
7450 …t9291 = t3340 - t3344 + t3349 - t3351 + t3353 - t3355 + t3359 - t3362 - 0.32986000000000000000e1 *… in func_pol()
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| H A D | mgga_x_revtm.c | 4731 double t3325, t3344, t3345, t3348, t3350, t3353, t3354, t3361; in func_pol() local
6585 t3344 = t1244 * t26; in func_pol()
6586 t3345 = t3344 * t233; in func_pol()
7026 t4784 = t3344 * t472; in func_pol()
7226 t5208 = t3344 * t609; in func_pol()
8591 …1000e4 * t2577 * t1321 * t844 + 0.162e3 * t2370 * t3354 - 0.18e2 * t243 * t3344 * t750 - 0.27e2 / … in func_pol()
8967 …t12721 = -0.24e2 * t760 * t4792 - 0.24e2 * t760 * t4768 - 0.24e2 * t243 * t3344 * t1184 - 0.12e2 *… in func_pol()
9253 …t1534 * t1535 * t3209 - 0.9e1 / 0.100e3 * t4018 * t3260 - 0.12e2 * t243 * t3344 * t1503 - 0.6e1 * … in func_pol()
9613 …2 * t4546 * t1205 - 0.18e2 * t4546 * t1211 - 0.18e2 * t760 * t6410 - 0.18e2 * t243 * t3344 * t1748; in func_pol()
9859 …- 0.12e2 * t243 * t1215 * t5202 - 0.12e2 * t760 * t6722 - 0.12e2 * t243 * t3344 * t1944 - 0.6e1 * … in func_pol()
[all …]
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| H A D | mgga_c_b88.c | 154 double t3276, t3277, t3290, t3307, t3344, t3351, t3356, t3360; in func_unpol() local
1296 t3344 = t277 * t686; in func_unpol()
1297 …62962962966e-1 * t287 * t1525 - 0.29826161777777777780e-1 * t174 * t168 * t3344 * t279 + 0.7953643… in func_unpol()
1438 …1 * t174 * t168 * t1511 * t637 - 0.17895697066666666668e0 * t174 * t168 * t3344 * t600 + 0.2386092… in func_unpol()
2624 double t3341, t3342, t3343, t3344, t3345, t3346, t3348, t3349; in func_pol() local
5328 t3344 = 0.18641351111111111113e-2 * t3343; in func_pol()
5334 t3351 = t3317 - t3319 - t3324 + t3326 + t3330 - t3334 - t3336 - t3340 + t3344 + t3346 - t3350; in func_pol()
8370 …326 + t3330 - 0.22400000000000000000e0 * t3333 - t3336 - t10900 - t3340 + t3344 + t3346 - t3350 + … in func_pol()
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| H A D | mgga_x_br89_explicit.c | 7267 double t3340, t3341, t3343, t3344, t3346, t3349, t3358, t3361; in func_ferr() local
9023 t3344 = t29 * t3343; in func_ferr()
12177 …2e1 * t44 * t21844 * t129 - t913 * t1073 - 0.6e1 * t44 * t11253 * t1063 - t3344 * t328 + 0.2e1 * t… in func_ferr()
13822 double t3344, t3350, t3358, t3359, t3361, t3362, t3376, t3377; in func_pol() local
17802 t3344 = t39 * t3343; in func_pol()
17806 …64727788654e1 * t2070 * t1741 + 0.36358848441212981090e0 * t534 * t2074 + t3344 * t61 - t673 * t55… in func_pol()
24570 …20 * t3350 + 0.2e1 * t54 * t16160 + 0.2e1 * t54 * t16163 - t673 * t2691 - t3344 * t428 - 0.7931795… in func_pol()
33072 …+ 0.2e1 * t2098 * t2682 + 0.2e1 * t547 * t10673 + 0.2e1 * t547 * t10668 - t3344 * t1386 + 0.2e1 * … in func_pol()
34118 … + 0.4e1 * t54 * t12447 * t1759 - t2098 * t3152 - t229 * t17682 + 0.4e1 * t3344 * t1746 + 0.2e1 * … in func_pol()
35868 …t88201 = -t673 * t15612 - 0.2e1 * t3344 * t2691 - t3138 * t2932 + 0.4e1 * t3344 * t2682 + 0.2e1 * … in func_pol()
[all …]
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