| /dports/science/mpqc/mpqc-2.3.1/src/lib/chemistry/qc/oint3/ |
| H A D | i1222.cc | 72 double t69; in i1222() local
301 t69=t68+t3; in i1222()
302 t3=t4*t69; in i1222()
360 t11=t4*t69; in i1222()
429 t69=t8+t68; in i1222()
431 t8=t35*t69; in i1222()
439 t69=t63+t8; in i1222()
445 t63=t8+t69; in i1222()
448 t69=t2+t8; in i1222()
450 t70=t8+t69; in i1222()
[all …]
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| H A D | i2222.cc | 72 double t69; in i2222() local
294 t69=t68+t3; in i2222()
295 t3=t4*t69; in i2222()
351 t11=t4*t69; in i2222()
419 t69=t8+t68; in i2222()
420 t8=t35*t69; in i2222()
428 t69=t63+t8; in i2222()
433 t63=t8+t69; in i2222()
436 t69=t2+t8; in i2222()
438 t70=t8+t69; in i2222()
[all …]
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| H A D | i0222.cc | 72 double t69; in i0222() local
308 t69=t68+t3; in i0222()
309 t3=t4*t69; in i0222()
368 t11=t4*t69; in i0222()
437 t69=t8+t68; in i0222()
439 t8=t35*t69; in i0222()
447 t69=t63+t8; in i0222()
453 t63=t8+t69; in i0222()
456 t69=t2+t8; in i0222()
458 t70=t8+t69; in i0222()
[all …]
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| H A D | i2301.cc | 72 double t69; in i2301() local
319 t69=t58+t6; in i2301()
321 t70=t6+t69; in i2301()
337 t69=t1*t52; in i2301()
403 t6=t69+t7; in i2301()
463 t69=t19+t6; in i2301()
465 t19=t6+t69; in i2301()
473 t69=t42+t6; in i2301()
474 t6=t1*t69; in i2301()
488 t6=t54*t69; in i2301()
[all …]
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| H A D | i3301.cc | 72 double t69; in i3301() local
309 t69=t58+t6; in i3301()
311 t70=t6+t69; in i3301()
312 t69=t54*t46; in i3301()
313 t71=t19+t69; in i3301()
314 t69=t63*t39; in i3301()
315 t72=t69+t71; in i3301()
316 t69=t54*t72; in i3301()
326 t69=t1*t52; in i3301()
388 t6=t69+t7; in i3301()
[all …]
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| H A D | i1301AB.cc | 72 double t69; in i1301eAB() local
327 t69=t67+t68; in i1301eAB()
333 t70=t38+t69; in i1301eAB()
339 t69=t10+t38; in i1301eAB()
340 int_v_list110[0]=t69; in i1301eAB()
381 t4=t16*t69; in i1301eAB()
428 t71=t69+t67; in i1301eAB()
434 t69=t14*t64; in i1301eAB()
436 t16=t14+t69; in i1301eAB()
471 t69=t46+t41; in i1301eAB()
[all …]
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| H A D | i0301AB.cc | 72 double t69; in i0301eAB() local
327 t69=t67+t68; in i0301eAB()
333 t70=t38+t69; in i0301eAB()
339 t69=t10+t38; in i0301eAB()
340 int_v_list110[0]=t69; in i0301eAB()
381 t4=t16*t69; in i0301eAB()
428 t71=t69+t67; in i0301eAB()
434 t69=t14*t64; in i0301eAB()
436 t16=t14+t69; in i0301eAB()
476 t69=t46+t41; in i0301eAB()
[all …]
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| H A D | i1322AB.cc | 72 double t69; in i1322eAB() local
300 t69=t3*t62; in i1322eAB()
305 t71=t70+t69; in i1322eAB()
658 t86=t69+t63; in i1322eAB()
660 t69=t63+t36; in i1322eAB()
665 t63=t36+t69; in i1322eAB()
670 t69=t78+t28; in i1322eAB()
672 t69=t28+t36; in i1322eAB()
680 t70=t11*t69; in i1322eAB()
681 t69=t70+t63; in i1322eAB()
[all …]
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| H A D | i2301AB.cc | 72 double t69; in i2301eAB() local
316 t69=t67+t68; in i2301eAB()
322 t70=t38+t69; in i2301eAB()
328 t69=t10+t38; in i2301eAB()
329 t10=int_v_oo2zeta12*t69; in i2301eAB()
369 t4=t16*t69; in i2301eAB()
411 t71=t69+t67; in i2301eAB()
417 t69=t14*t64; in i2301eAB()
419 t16=t14+t69; in i2301eAB()
454 t69=t46+t41; in i2301eAB()
[all …]
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| /dports/science/ergo/ergo-3.8/source/dft/ |
| H A D | fun-pbec.c | 317 t69 = LOG(t68); in pbec_first()
554 t69 = 1/POW(t65,2.0); in pbec_second()
662 t56*t60*t52*t69; in pbec_second()
668 t53*t68*gradb*t56*t60*t52*t69; in pbec_second()
829 t69; in pbec_second()
838 t69; in pbec_second()
892 t60*t64*t69-.1383178583708611*t220*t52*t59*t60*t64*t69+.5532714334834444* in pbec_second()
929 t60*t64*t69-.1383178583708611*t119*t140*t52*t59*t60*t64*t69+ in pbec_second()
941 t140*t69*t64+.5283353010625738*t61*t10*t56*t58*t52*t140*t69* in pbec_second()
1011 t64*t69+.7376952446445925*t116*t138*t140*t46*t52*t59*t64*t69+ in pbec_second()
[all …]
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| /dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/dft/ |
| H A D | fun-pbec.c | 324 t69 = log(t68); in pbec_first()
561 t69 = 1/pow(t65,2.0); in pbec_second()
669 t56*t60*t52*t69; in pbec_second()
675 t53*t68*gradb*t56*t60*t52*t69; in pbec_second()
836 t69; in pbec_second()
845 t69; in pbec_second()
899 t60*t64*t69-.1383178583708611*t220*t52*t59*t60*t64*t69+.5532714334834444* in pbec_second()
936 t60*t64*t69-.1383178583708611*t119*t140*t52*t59*t60*t64*t69+ in pbec_second()
948 t140*t69*t64+.5283353010625738*t61*t10*t56*t58*t52*t140*t69* in pbec_second()
1018 t64*t69+.7376952446445925*t116*t138*t140*t46*t52*t59*t64*t69+ in pbec_second()
[all …]
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| H A D | fun-b97-k.c | 892 t107*t112*t66*t69*t84-8.0*t107*t110*t66*t68*t84+t66*t68*t69* in b97_k_second()
931 t199+t66*t68*t69*t159*t118+t66*t68*t69*t107*t118)+t195+t194+ in b97_k_second()
1854 t111*t237*t67*t69*t85-96.0*t108*t111*t113*t67*t85+t67*t69* in b97_k_third()
1923 40.0*t108*t243*t67*t69*t85-4.0*t111*t237*t67*t69*t85-32.0* in b97_k_third()
1996 t67*t69*t85+40.0*t161*t243*t67*t69*t85+20.0*t108*t243*t67* in b97_k_third()
3969 t69*t70+4.0*t119*t411*t67*t69*t70+6.0*t237*t254*t67*t69*t70+ in b97_k_fourth()
4113 t69*t85-4.0*t111*t411*t67*t69*t85+60.0*t237*t243*t67*t69*t85- in b97_k_fourth()
4415 t67*t69*t70+6.0*t161*t254*t67*t69*t70+6.0*t108*t254*t67*t69* in b97_k_fourth()
4536 t69*t85-120.0*t108*t418*t67*t69*t85+60.0*t243*t299*t67*t69* in b97_k_fourth()
4562 t69*t70+3.0*t161*t429*t67*t69*t70+3.0*t254*t299*t67*t69*t70- in b97_k_fourth()
[all …]
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| H A D | fun-b97.c | 894 t107*t112*t66*t69*t84-8.0*t107*t110*t66*t68*t84+t66*t68*t69* in b97_second()
933 t199+t66*t68*t69*t159*t118+t66*t68*t69*t107*t118)+t195+t194+ in b97_second()
1857 t111*t237*t67*t69*t85-96.0*t108*t111*t113*t67*t85+t67*t69* in b97_third()
1927 40.0*t108*t243*t67*t69*t85-4.0*t111*t237*t67*t69*t85-32.0* in b97_third()
1999 t67*t69*t85+40.0*t161*t243*t67*t69*t85+20.0*t108*t243*t67* in b97_third()
3970 t67*t69*t70+4.0*t119*t411*t67*t69*t70+6.0*t237*t254*t67*t69* in b97_fourth()
4114 t69*t85-4.0*t111*t411*t67*t69*t85+60.0*t237*t243*t67*t69*t85- in b97_fourth()
4339 t67*t69*t70+2.0*t161*t429*t67*t69*t70+2.0*t108*t429*t67*t69* in b97_fourth()
4417 t67*t69*t70+6.0*t161*t254*t67*t69*t70+6.0*t108*t254*t67*t69* in b97_fourth()
4564 t69*t70+3.0*t161*t429*t67*t69*t70+3.0*t254*t299*t67*t69*t70- in b97_fourth()
[all …]
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| H A D | fun-b97-2.c | 895 t107*t112*t66*t69*t84-8.0*t107*t110*t66*t68*t84+t66*t68*t69* in b97_2_second()
1857 t111*t237*t67*t69*t85-96.0*t108*t111*t113*t67*t85+t67*t69* in b97_2_third()
1927 40.0*t108*t243*t67*t69*t85-4.0*t111*t237*t67*t69*t85-32.0* in b97_2_third()
2001 t67*t69*t85+40.0*t161*t243*t67*t69*t85+20.0*t108*t243*t67* in b97_2_third()
3978 t67*t69*t70+4.0*t119*t411*t67*t69*t70+6.0*t237*t254*t67*t69* in b97_2_fourth()
4122 t69*t85-4.0*t111*t411*t67*t69*t85+60.0*t237*t243*t67*t69*t85- in b97_2_fourth()
4346 t67*t69*t70+2.0*t161*t429*t67*t69*t70+2.0*t108*t429*t67*t69* in b97_2_fourth()
4424 t67*t69*t70+6.0*t161*t254*t67*t69*t70+6.0*t108*t254*t67*t69* in b97_2_fourth()
4546 t69*t85-120.0*t108*t418*t67*t69*t85+60.0*t243*t299*t67*t69* in b97_2_fourth()
4572 t69*t70+3.0*t161*t429*t67*t69*t70+3.0*t254*t299*t67*t69*t70- in b97_2_fourth()
[all …]
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| H A D | fun-b97-1.c | 896 t107*t112*t66*t69*t84-8.0*t107*t110*t66*t68*t84+t66*t68*t69* in b97_1_second()
1859 t111*t237*t67*t69*t85-96.0*t108*t111*t113*t67*t85+t67*t69* in b97_1_third()
1929 40.0*t108*t243*t67*t69*t85-4.0*t111*t237*t67*t69*t85-32.0* in b97_1_third()
2003 t67*t69*t85+40.0*t161*t243*t67*t69*t85+20.0*t108*t243*t67* in b97_1_third()
3985 t67*t69*t70+4.0*t119*t411*t67*t69*t70+6.0*t237*t254*t67*t69* in b97_1_fourth()
4129 t69*t85-4.0*t111*t411*t67*t69*t85+60.0*t237*t243*t67*t69*t85- in b97_1_fourth()
4354 t67*t69*t70+2.0*t161*t429*t67*t69*t70+2.0*t108*t429*t67*t69* in b97_1_fourth()
4432 t67*t69*t70+6.0*t161*t254*t67*t69*t70+6.0*t108*t254*t67*t69* in b97_1_fourth()
4554 t69*t85-120.0*t108*t418*t67*t69*t85+60.0*t243*t299*t67*t69* in b97_1_fourth()
4580 t69*t70+3.0*t161*t429*t67*t69*t70+3.0*t254*t299*t67*t69*t70- in b97_1_fourth()
[all …]
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| /dports/science/libxc/libxc-5.0.0/src/maple2c/lda_exc/ |
| H A D | lda_x_sloc.c | 340 t69 = 0.1e1 / t23 / t5; in func_pol()
341 t70 = t7 * t69; in func_pol()
417 t215 = t214 * t69; in func_pol()
419 t225 = t69 * t65; in func_pol()
427 t242 = t241 * t69; in func_pol()
429 t252 = t69 * t79; in func_pol()
514 t478 = t477 * t69; in func_pol()
520 t507 = t506 * t69; in func_pol()
543 t620 = t477 * t69 * t26; in func_pol()
561 t693 = t318 * t69; in func_pol()
[all …]
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| H A D | lda_c_gombas.c | 34 double t65, t66, t67, t68, t69, t71, t73, t74; in func_unpol() local
111 t69 = t66 * t68; in func_unpol()
130 …+ 0.31100000000000000000e-1 * t56 + rho[0] * (-0.14082010021333333333e-5 * t69 + 0.100227829333333… in func_unpol()
142 …v4rho4[0] = -0.56328040085333333332e-5 * t69 + 0.40091131733333333332e-3 * t74 - 0.832259555555555… in func_unpol()
179 double t65, t66, t67, t68, t69, t71, t73, t74; in func_ferr() local
256 t69 = t66 * t68; in func_ferr()
287 …v4rho4[0] = -0.56328040085333333332e-5 * t69 + 0.40091131733333333332e-3 * t74 - 0.832259555555555… in func_ferr()
324 double t66, t67, t68, t69, t70, t72, t74, t75; in func_pol() local
410 t69 = 0.1e1 / t68; in func_pol()
411 t70 = t67 * t69; in func_pol()
[all …]
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| H A D | lda_xc_zlp.c | 32 double t51, t60, t62, t66, t69; in func_unpol() local
91 …t69 = 0.37037037037037037035e0 / t51 * t14 - 0.35185423664167797876e2 / t1 / t51 * t35 + 0.8253426… in func_unpol()
93 …0000000e1 * t21 * t18 + 0.27621333333333333333e0 * t8 * t39 - 0.93222000000000000000e0 * t12 * t69; in func_unpol()
103 …v4rho4[0] = -0.49718400000000000000e1 * t69 * t1 - 0.24859200000000000000e1 * t42 * t18 + 0.110485… in func_unpol()
138 double t51, t60, t62, t66, t69; in func_ferr() local
197 …t69 = 0.37037037037037037035e0 / t51 * t14 - 0.35185423664167797876e2 / t1 / t51 * t35 + 0.8253426… in func_ferr()
199 …0000000e1 * t21 * t18 + 0.27621333333333333333e0 * t8 * t39 - 0.93222000000000000000e0 * t12 * t69; in func_ferr()
209 …v4rho4[0] = -0.49718400000000000000e1 * t69 * t1 - 0.24859200000000000000e1 * t42 * t18 + 0.110485… in func_ferr()
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| H A D | lda_c_vwn_1.c | 125 t69 = 0.1e1 / t68; in func_unpol()
168 t146 = t144 * t93 * t69; in func_unpol()
240 t293 = t144 * t215 * t69; in func_unpol()
245 t299 = t69 * t44; in func_unpol()
253 t312 = t2 * t69; in func_unpol()
270 t336 = t333 * t334 * t69; in func_unpol()
471 t69 = 0.1e1 / t68; in func_ferr()
514 t146 = t144 * t93 * t69; in func_ferr()
591 t299 = t69 * t44; in func_ferr()
599 t312 = t2 * t69; in func_ferr()
[all …]
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| H A D | lda_c_vwn_rpa.c | 125 t69 = 0.1e1 / t68; in func_unpol()
168 t146 = t144 * t93 * t69; in func_unpol()
240 t293 = t144 * t215 * t69; in func_unpol()
245 t299 = t69 * t44; in func_unpol()
253 t312 = t2 * t69; in func_unpol()
270 t336 = t333 * t334 * t69; in func_unpol()
471 t69 = 0.1e1 / t68; in func_ferr()
514 t146 = t144 * t93 * t69; in func_ferr()
591 t299 = t69 * t44; in func_ferr()
599 t312 = t2 * t69; in func_ferr()
[all …]
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| H A D | lda_c_gk72.c | 28 double t53, t56, t57, t67, t68, t69, t77, t78; in func_unpol() local
91 t69 = t4 * t56; in func_unpol()
94 … + 0.10600000000000000000e2 * t68 * t69 - 0.32666666666666666667e0 * t37 * t9 - 0.2133333333333333… in func_unpol()
193 double t53, t56, t57, t67, t68, t69, t77, t78; in func_ferr() local
256 t69 = t4 * t56; in func_ferr()
259 … + 0.10600000000000000000e2 * t68 * t69 - 0.32666666666666666667e0 * t37 * t9 - 0.2133333333333333… in func_ferr()
359 double t54, t57, t58, t68, t69, t70, t78, t79; in func_pol() local
422 t69 = t68 * t49; in func_pol()
426 … * t54, 0.48666666666666666667e-1 * t26 * t45 + 0.10600000000000000000e2 * t69 * t70 - 0.326666666… in func_pol()
453 …t102 + 0.88333333333333333333e1 * t108 * t111 - 0.14133333333333333333e2 * t69 * t114 + 0.10888888… in func_pol()
[all …]
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwxc/maxima/f77/ |
| H A D | nwxcm_c_m11.F | 457 t70 = 1/t69
2493 4 *t61*t63*t69-5.448431554270369d-1*t169*t194*t61*t63*t69)*
6371 1 64*t69
6375 1 64*t69
6378 1 63*t69
6636 8 *t69-8.172647331405554d-1*t192*t337*t587*t59*t61*t63*t69+
6736 ? 63*t69+2.7242157771351844d-1*t176*t189*t336*t61*t63*t69+3
6814 8 *t69-8.172647331405554d-1*t192*t382*t587*t59*t61*t63*t69+
6880 1 3*t69
7359 ? *t69+8.172647331405554d-1*t176*t335*t336*t59*t61*t63*t69-
[all …]
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| H A D | nwxcm_c_dldf.F | 2269 2 *t69
2593 4 *t69*(-3.557406879999999d-1*t134*t69-2.561332953599999d
2650 3 99997d-2*t139*t175)*t69+1.2d-1*t1*t176*t69-7.2d-3*gamma
3058 7 9*t69+5.082465978296986d-3*t114*t127*t44*t69+1.53892884
3100 8 *t69+2.3923187454478842d-1*t114*t118*t45*t66*t69+2.3923
3103 ; 57*t44*t69+2.541232989148493d-3*t114*t127*t44*t69+1.923
3127 7 9*t69+5.082465978296986d-3*t127*t157*t44*t69-1.53892884
3576 3 t49*t66*t69-5.980796863619711d-2*t218*t44*t45*t66*t69-4
3579 6 122*t131*t49*t69+5.082465978296986d-3*t118*t131*t44*t69
3615 8 t66*t69+2.3923187454478842d-1*t118*t120*t44*t66*t69+2.5
[all …]
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/nwxc/maxima/f77/ |
| H A D | nwxcm_c_m11.F | 457 t70 = 1/t69
2493 4 *t61*t63*t69-5.448431554270369d-1*t169*t194*t61*t63*t69)*
6371 1 64*t69
6375 1 64*t69
6378 1 63*t69
6636 8 *t69-8.172647331405554d-1*t192*t337*t587*t59*t61*t63*t69+
6736 ? 63*t69+2.7242157771351844d-1*t176*t189*t336*t61*t63*t69+3
6814 8 *t69-8.172647331405554d-1*t192*t382*t587*t59*t61*t63*t69+
6880 1 3*t69
7359 ? *t69+8.172647331405554d-1*t176*t335*t336*t59*t61*t63*t69-
[all …]
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| H A D | nwxcm_c_dldf.F | 2269 2 *t69
2593 4 *t69*(-3.557406879999999d-1*t134*t69-2.561332953599999d
2650 3 99997d-2*t139*t175)*t69+1.2d-1*t1*t176*t69-7.2d-3*gamma
3058 7 9*t69+5.082465978296986d-3*t114*t127*t44*t69+1.53892884
3100 8 *t69+2.3923187454478842d-1*t114*t118*t45*t66*t69+2.3923
3103 ; 57*t44*t69+2.541232989148493d-3*t114*t127*t44*t69+1.923
3127 7 9*t69+5.082465978296986d-3*t127*t157*t44*t69-1.53892884
3576 3 t49*t66*t69-5.980796863619711d-2*t218*t44*t45*t66*t69-4
3579 6 122*t131*t49*t69+5.082465978296986d-3*t118*t131*t44*t69
3615 8 t66*t69+2.3923187454478842d-1*t118*t120*t44*t66*t69+2.5
[all …]
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