| /dports/science/mpqc/mpqc-2.3.1/src/lib/chemistry/qc/oint3/ |
| H A D | i3322AB.cc | 52 double t49; in i3322eAB() local
246 t49=t46+t45; in i3322eAB()
261 t53=t52+t49; in i3322eAB()
282 t67=t49*t15; in i3322eAB()
290 t71=t49*t8; in i3322eAB()
389 t49=t1*t31; in i3322eAB()
474 t85=t49*t2; in i3322eAB()
510 t37=t49*t2; in i3322eAB()
516 t4=t49*t31; in i3322eAB()
552 t17=t49*t6; in i3322eAB()
[all …]
|
| H A D | i1301AB.cc | 52 double t49; in i1301eAB() local
186 t51=t50+t49; in i1301eAB()
187 t49=t2*t51; in i1301eAB()
188 t50=t2*t49; in i1301eAB()
230 t62=t47*t49; in i1301eAB()
243 t36=t56*t49; in i1301eAB()
244 t49=t15+t36; in i1301eAB()
245 t15=t47*t49; in i1301eAB()
256 t17=t56*t49; in i1301eAB()
285 t22=t5*t49; in i1301eAB()
[all …]
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| H A D | i0301AB.cc | 52 double t49; in i0301eAB() local
186 t51=t50+t49; in i0301eAB()
187 t49=t2*t51; in i0301eAB()
188 t50=t2*t49; in i0301eAB()
230 t62=t47*t49; in i0301eAB()
243 t36=t56*t49; in i0301eAB()
244 t49=t15+t36; in i0301eAB()
245 t15=t47*t49; in i0301eAB()
256 t17=t56*t49; in i0301eAB()
285 t22=t5*t49; in i0301eAB()
[all …]
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| H A D | i2301AB.cc | 52 double t49; in i2301eAB() local
180 t51=t50+t49; in i2301eAB()
181 t49=t2*t51; in i2301eAB()
182 t50=t2*t49; in i2301eAB()
224 t62=t47*t49; in i2301eAB()
237 t36=t56*t49; in i2301eAB()
238 t49=t15+t36; in i2301eAB()
239 t15=t47*t49; in i2301eAB()
250 t17=t56*t49; in i2301eAB()
277 t22=t5*t49; in i2301eAB()
[all …]
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| H A D | i1222.cc | 52 double t49; in i1222() local
225 t49=t41*t21; in i1222()
226 t21=t49+t48; in i1222()
228 t49=t48+t46; in i1222()
240 t49=t4*t47; in i1222()
242 t49=t6*t21; in i1222()
245 t49=t6*t54; in i1222()
248 t49=t3*t27; in i1222()
452 t69=t49+t8; in i1222()
454 t49=t9*t27; in i1222()
[all …]
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| H A D | i2222.cc | 52 double t49; in i2222() local
220 t49=t41*t21; in i2222()
221 t21=t49+t48; in i2222()
223 t49=t48+t46; in i2222()
235 t49=t4*t47; in i2222()
237 t49=t6*t21; in i2222()
239 t49=t6*t54; in i2222()
242 t49=t3*t27; in i2222()
440 t69=t49+t8; in i2222()
442 t49=t9*t27; in i2222()
[all …]
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| H A D | i0222.cc | 52 double t49; in i0222() local
229 t49=t41*t21; in i0222()
230 t21=t49+t48; in i0222()
233 t49=t48+t46; in i0222()
245 t49=t4*t47; in i0222()
247 t49=t6*t21; in i0222()
250 t49=t6*t54; in i0222()
253 t49=t3*t27; in i0222()
460 t69=t49+t8; in i0222()
462 t49=t9*t27; in i0222()
[all …]
|
| /dports/science/ergo/ergo-3.8/source/dft/ |
| H A D | fun-p86c.c | 410 t48*t49*t6+1.333333333333333*t1*t4*t50*t48*t49*t37*t39; in p86c_second()
415 t39*t4*t49*t54*t58*t6-0.5*t1*t33*t39*t4*t49*t58*t6-0.5*t1* in p86c_second()
417 t1*t4*t50*t58*t49*t37*t39+0.66666666666667*t1*t4*t50*t48*t49* in p86c_second()
430 t49*t58*t6+1.333333333333333*t1*t4*t50*t58*t49*t37*t39; in p86c_second()
914 t39*t4*t49*t54*t58*t6-0.5*t1*t33*t39*t4*t49*t58*t6-0.5*t1* in p86c_third()
925 t1*t37*t39*t4*t49*t54*t58*t6-1.0*t1*t33*t39*t4*t49*t58*t6- in p86c_third()
944 t37*t39*t4*t49*t58*t6*t94-1.0*t1*t37*t39*t4*t48*t49*t6*t94- in p86c_third()
945 0.5*t1*t37*t39*t4*t49*t58*t6*t90-1.0*t1*t37*t39*t4*t48*t49* in p86c_third()
954 0.5*t1*t39*t4*t49*t58*t6*t69-1.0*t1*t39*t4*t48*t49*t6*t69- in p86c_third()
1012 1.0*t1*t39*t4*t49*t58*t6*t69-0.5*t1*t39*t4*t48*t49*t6*t69- in p86c_third()
[all …]
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| H A D | fun-pw91c.c | 252 t50 = 1/t49; in pw91c_first()
384 t49 = 1/POW(t4,4.666666666666667); in pw91c_second()
418 t48*t22*grada*t3*t49*t54; in pw91c_second()
427 t48*t22*gradb*t3*t49*t54; in pw91c_second()
439 t86 = 0.04346580744894*t3*t49*t52; in pw91c_second()
746 t48*t22*grada*t3*t49*t54; in pw91c_third()
755 t48*t22*gradb*t3*t49*t54; in pw91c_third()
926 t48*t22*grada*t49*t56*t52; in pw91c_third()
932 t48*t22*gradb*t49*t56*t52; in pw91c_third()
970 t49*t63+0.02173290372447*t112*t187*t45*t49*t63-0.03259935558671* in pw91c_third()
[all …]
|
| /dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/dft/ |
| H A D | fun-p86c.c | 418 t48*t49*t6+1.333333333333333*t1*t4*t50*t48*t49*t37*t39; in p86c_second()
423 t39*t4*t49*t54*t58*t6-0.5*t1*t33*t39*t4*t49*t58*t6-0.5*t1* in p86c_second()
425 t1*t4*t50*t58*t49*t37*t39+0.66666666666667*t1*t4*t50*t48*t49* in p86c_second()
438 t49*t58*t6+1.333333333333333*t1*t4*t50*t58*t49*t37*t39; in p86c_second()
924 t39*t4*t49*t54*t58*t6-0.5*t1*t33*t39*t4*t49*t58*t6-0.5*t1* in p86c_third()
935 t1*t37*t39*t4*t49*t54*t58*t6-1.0*t1*t33*t39*t4*t49*t58*t6- in p86c_third()
960 t37*t39*t4*t49*t58*t6*t94-1.0*t1*t37*t39*t4*t48*t49*t6*t94- in p86c_third()
961 0.5*t1*t37*t39*t4*t49*t58*t6*t90-1.0*t1*t37*t39*t4*t48*t49* in p86c_third()
970 0.5*t1*t39*t4*t49*t58*t6*t69-1.0*t1*t39*t4*t48*t49*t6*t69- in p86c_third()
1028 1.0*t1*t39*t4*t49*t58*t6*t69-0.5*t1*t39*t4*t48*t49*t6*t69- in p86c_third()
[all …]
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| H A D | fun-lg93.c | 371 real t43, t44, t45, t46, t47, t48, t49, t50; in lg93_third_helper() local
432 t49 = 1/pow(t23,1.975026); in lg93_third_helper()
642 t49 = 1/pow(t23,1.975026); in lg93_fourth_helper()
728 t43*t26*t49*t36-0.048700598648*t58*t34*t26*t49*t36+0.048092474272682* in lg93_fourth_helper()
740 t43*t26*t49*t36-0.024350299324*t34*t61*t26*t49*t36+0.048092474272682* in lg93_fourth_helper()
796 t43*t26*t49*t36-0.073050897972*t77*t34*t26*t49*t36+0.024974* in lg93_fourth_helper()
804 t6*t49*t25-4.8700598648E-10*t1*t2*t3*t56*t43*t6*t49*t25-9.7401197296E-10* in lg93_fourth_helper()
823 t6*t49*t37+2.4350299324E-10*t1*t2*grada*t56*t43*t6*t49*t37+ in lg93_fourth_helper()
834 t34*t61*t26*t49*t27-0.129868263061333*t58*t43*t26*t49*t27+ in lg93_fourth_helper()
837 t61*t6*t49*t25-6.49341315306667E-10*t1*t2*t3*t58*t43*t6*t49* in lg93_fourth_helper()
[all …]
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| H A D | fun-pw91c.c | 256 t50 = 1/t49; in pw91c_first()
388 t49 = 1/pow(t4,4.666666666666667); in pw91c_second()
422 t48*t22*grada*t3*t49*t54; in pw91c_second()
431 t48*t22*gradb*t3*t49*t54; in pw91c_second()
443 t86 = 0.04346580744894*t3*t49*t52; in pw91c_second()
752 t48*t22*grada*t3*t49*t54; in pw91c_third()
761 t48*t22*gradb*t3*t49*t54; in pw91c_third()
932 t48*t22*grada*t49*t56*t52; in pw91c_third()
938 t48*t22*gradb*t49*t56*t52; in pw91c_third()
976 t49*t63+0.02173290372447*t112*t187*t45*t49*t63-0.03259935558671* in pw91c_third()
[all …]
|
| H A D | fun-pw92ac.c | 918 t47*t49+2.0*t29*t36*t47*t49-0.666666666666667*t30*t40*t47* in pw92ac_third()
1008 t3*t39*t49*t6+3.0*t121*t29*t49*t6+1.333333333333333*t3*t30* in pw92ac_third()
1010 t40*t6+6.0*t29*t47*t48*t49-2.0*t39*t40*t47*t49+3.0*t118*t29* in pw92ac_third()
1600 t49*t6*t86+2.0*t29*t30*t47*t86+2.0*t29*t39*t49*t84+2.0*t29* in pw92ac_fourth()
1606 t48*t49-0.666666666666667*t39*t40*t47*t49+2.0*t29*t36*t47* in pw92ac_fourth()
1711 t246 = -2.0*t40*t48*t49*t6+1.333333333333333*t3*t39*t49* in pw92ac_fourth()
1714 t29*t47*t48*t49-2.0*t39*t40*t47*t49+3.0*t118*t29*t39*t49-2.0* in pw92ac_fourth()
2209 t24*t36*t40*t49+1.777777777777778*t24*t3*t39*t49+2.0*t169* in pw92ac_fourth()
2440 t39*t40*t49+3.0*t211*t29*t39*t49+3.0*t118*t29*t36*t49+3.0* in pw92ac_fourth()
2664 t3*t39*t47*t49+12.0*t121*t29*t47*t49-4.0*t118*t39*t40*t49+ in pw92ac_fourth()
[all …]
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| H A D | fun-b97-3.c | 825 t49*t62*t69-8.6400000000000001E-7*ccab[3]*t22*t49*t68*t67+ in b97_3_second()
828 t49*t66*t65+4.1472000000000004E-11*ccab[4]*t22*t49*t63*t140; in b97_3_second()
1151 t49*t62*t67*t176-3.0720000000000004E-6*ccab[2]*t22*t60*t49* in b97_3_second()
1177 grada*t49*t62*t69+9.6000000000000002E-5*ccab[1]*grada*t49* in b97_3_second()
1191 t49*t69*t61+9.6000000000000002E-5*ccab[1]*t22*gradb*t49*t69* in b97_3_second()
1196 t49*t68*t65*t61-1.0368000000000002E-8*ccab[2]*t22*gradb*t49* in b97_3_second()
1654 t49*t62*t69-8.6400000000000001E-7*ccab[3]*t22*t49*t68*t67+ in b97_3_third()
1961 t60*t49*t62*t67*t176+2.7648E-8*ccab[4]*t22*t60*t49*t68*t65* in b97_3_third()
2882 t22*t49*t62*t67*t61-5.7600000000000008E-7*ccab[1]*t22*t49* in b97_3_third()
3676 t49*t62*t69-8.6400000000000001E-7*ccab[3]*t22*t49*t68*t67+ in b97_3_fourth()
[all …]
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| H A D | fun-pw91nc.c | 379 t49 = 1/t48; in pw91nc_second()
381 t49; in pw91nc_second()
384 t21*t9*t3*t5*t49+1.0; in pw91nc_second()
415 t49*grada; in pw91nc_second()
424 t49*gradb; in pw91nc_second()
706 t49 = 1/t48; in pw91nc_third()
708 t49; in pw91nc_third()
711 t21*t9*t3*t5*t49+1.0; in pw91nc_third()
742 t49*grada; in pw91nc_third()
751 t49*gradb; in pw91nc_third()
[all …]
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwxc/maxima/f77/ |
| H A D | nwxcm_x_campbe.F | 279 2 d-2*t12*t14*t16*t19*t49+t19*t49-3.536776513153214d-2*t14*
1210 3 17*t19*t49*t53*t56*t62-1.3552527156068805d-20*t19*t34*t49
1368 3 17*t19*t49*t53*t56*t62-1.3552527156068805d-20*t19*t34*t49
1675 2 *t19*t34*t49*t5*t74+2.519651127593712d-4*t18*t19*t3*t49*t
1859 8 5*t49*t53*t57*t74+2.344600220846979d-4*t19*t30*t49*t5*t57
1868 1 t3*t34*t35*t49*t51)+1.5589335978906577d-5*t10*t21*t31*t49
1878 ; t49*t74*t77-1.5589335978906577d-5*t10*t31*t36*t49*t74*t77
2920 2 *t19*t34*t49*t5*t74+2.519651127593712d-4*t18*t19*t3*t49*t
3094 8 *t49*t53*t57*t74+2.344600220846979d-4*t19*t30*t49*t5*t57*
3103 1 3*t34*t35*t49*t51)+1.5589335978906577d-5*t10*t21*t31*t49*
[all …]
|
| H A D | nwxcm_c_p91.F | 440 t49 = 1/t25
524 t49 = 1/t25
1348 = 08*t49*t54*t55-5.862637881547574d-2*t110*t118*t129*t49*t5
1492 1 t49*t7
1500 1 t48*t49
1508 1 t48*t49
1682 1 t49*t7
1690 1 t48*t49
1698 1 t48*t49
4099 6 229*t49*t55-1.1725275763095148d+0*t118*t129*t142*t222*t49
[all …]
|
| H A D | nwxcm_x_m06.F | 450 6 333333333333333d+0*t103*t49*t50*t52-2*t105*t106*t49*t50*t
1166 2 t49*t50*t55*taua-3.3333333333333337d+0*t49*t50*t51*taua+2
1191 5 *t44*t49*t55*t66-7.46904d-3*t44*t49*t51*t66-3.73452d-3*t4
1548 = 7778d+1*t144*t49*t50*t52-2*t108*t148*t49*t50*t51+6*t146*t
1549 > 147*t49*t50*t51+2.1333333333333332d+1*t104*t107*t108*t49*
1606 : 20*t156*t49*t94*t95+6*t154*t155*t49*t94*t95+2.13333333333
1668 ; *t104*t49*t52-4*gammaaa*t107*t108*t49*t51+2.9876159999999
2851 5 t49*t50*t54+2*t47*t49*t50
3763 ; *t132*t151*t49*t50+5.228328d-2*t108*t124*t49*t50
4930 5 t49*t50*t54+2*t47*t49*t50
[all …]
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| H A D | nwxcm_c_spbe.F | 266 t49 = 1/t48
1314 t70 = t49**2
1474 t70 = t49**2
1763 t49 = 1/t48
2379 4 *t47*t49-1.3621078885675922d-1*t105*t189*t43*t45*t47*t49+
2413 5 *t48*t49-1.3621078885675922d-1*t105*t204*t43*t45*t47*t49-
2692 1 48*t49
2696 1 *t49
2787 6 t49-1.3621078885675922d-1*t105*t204*t45*t47*t49-1.3621078
3129 1 t49-2.2247762179937342d+0*t105*t117*t120*t182*t43*t47*t49
[all …]
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/src/nwxc/maxima/f77/ |
| H A D | nwxcm_x_campbe.F | 279 2 d-2*t12*t14*t16*t19*t49+t19*t49-3.536776513153214d-2*t14*
1210 3 17*t19*t49*t53*t56*t62-1.3552527156068805d-20*t19*t34*t49
1368 3 17*t19*t49*t53*t56*t62-1.3552527156068805d-20*t19*t34*t49
1675 2 *t19*t34*t49*t5*t74+2.519651127593712d-4*t18*t19*t3*t49*t
1859 8 5*t49*t53*t57*t74+2.344600220846979d-4*t19*t30*t49*t5*t57
1868 1 t3*t34*t35*t49*t51)+1.5589335978906577d-5*t10*t21*t31*t49
1878 ; t49*t74*t77-1.5589335978906577d-5*t10*t31*t36*t49*t74*t77
2920 2 *t19*t34*t49*t5*t74+2.519651127593712d-4*t18*t19*t3*t49*t
3094 8 *t49*t53*t57*t74+2.344600220846979d-4*t19*t30*t49*t5*t57*
3103 1 3*t34*t35*t49*t51)+1.5589335978906577d-5*t10*t21*t31*t49*
[all …]
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| H A D | nwxcm_c_p91.F | 440 t49 = 1/t25
524 t49 = 1/t25
1348 = 08*t49*t54*t55-5.862637881547574d-2*t110*t118*t129*t49*t5
1492 1 t49*t7
1500 1 t48*t49
1508 1 t48*t49
1682 1 t49*t7
1690 1 t48*t49
1698 1 t48*t49
4099 6 229*t49*t55-1.1725275763095148d+0*t118*t129*t142*t222*t49
[all …]
|
| H A D | nwxcm_x_m06.F | 450 6 333333333333333d+0*t103*t49*t50*t52-2*t105*t106*t49*t50*t
1166 2 t49*t50*t55*taua-3.3333333333333337d+0*t49*t50*t51*taua+2
1191 5 *t44*t49*t55*t66-7.46904d-3*t44*t49*t51*t66-3.73452d-3*t4
1548 = 7778d+1*t144*t49*t50*t52-2*t108*t148*t49*t50*t51+6*t146*t
1549 > 147*t49*t50*t51+2.1333333333333332d+1*t104*t107*t108*t49*
1606 : 20*t156*t49*t94*t95+6*t154*t155*t49*t94*t95+2.13333333333
1668 ; *t104*t49*t52-4*gammaaa*t107*t108*t49*t51+2.9876159999999
2851 5 t49*t50*t54+2*t47*t49*t50
3763 ; *t132*t151*t49*t50+5.228328d-2*t108*t124*t49*t50
4930 5 t49*t50*t54+2*t47*t49*t50
[all …]
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| H A D | nwxcm_c_spbe.F | 266 t49 = 1/t48
1314 t70 = t49**2
1474 t70 = t49**2
1763 t49 = 1/t48
2379 4 *t47*t49-1.3621078885675922d-1*t105*t189*t43*t45*t47*t49+
2413 5 *t48*t49-1.3621078885675922d-1*t105*t204*t43*t45*t47*t49-
2692 1 48*t49
2696 1 *t49
2787 6 t49-1.3621078885675922d-1*t105*t204*t45*t47*t49-1.3621078
3129 1 t49-2.2247762179937342d+0*t105*t117*t120*t182*t43*t47*t49
[all …]
|
| /dports/science/libxc/libxc-5.0.0/src/maple2c/lda_exc/ |
| H A D | lda_c_hl.c | 28 double t45, t46, t47, t49, t53, t54, t55, t61; in func_unpol() local
92 t49 = t8 * t24; in func_unpol()
181 double t45, t46, t47, t49, t53, t54, t55, t61; in func_ferr() local
245 t49 = t8 * t24; in func_ferr()
333 double t48, t49, t51, t52, t55, t58, t59, t60; in func_pol() local
419 t49 = POW_1_3(t48); in func_pol()
424 t59 = (t49 * t48 + t52 * t51 - 0.2e1) * t58; in func_pol()
458 t120 = (0.4e1 / 0.3e1 * t49 * t114 + 0.4e1 / 0.3e1 * t52 * t116) * t58; in func_pol()
471 t150 = (0.4e1 / 0.3e1 * t49 * t144 + 0.4e1 / 0.3e1 * t52 * t146) * t58; in func_pol()
497 t194 = t49 * t49; in func_pol()
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| /dports/science/libxc/libxc-5.0.0/src/maple2c/gga_exc/ |
| H A D | gga_k_llp.c | 116 t49 = t22 * rho[0]; in func_unpol()
117 t51 = 0.1e1 / t9 / t49; in func_unpol()
159 t132 = t7 / t8 / t49 * t33; in func_unpol()
164 t143 = 0.1e1 / t8 / t109 / t49; in func_unpol()
220 t294 = t286 * t49; in func_unpol()
428 t49 = t11 * t48; in func_ferr()
521 …t49 * t121 * t66 - 0.32e2 / 0.9e1 * t49 * t58 * t111 + 0.16e2 / 0.9e1 * t49 * t58 * t136 - 0.4e1 /… in func_ferr()
552 …t49 * t358 * t359 - 0.4e1 / 0.9e1 * t15 * t74 * t177 - 0.32e2 / 0.27e2 * t49 * t58 * t189 - 0.4e1 … in func_ferr()
591 …t49 * t609 * t84 * t110 + 0.352e3 / 0.81e2 * t49 * t121 * t189 + 0.64e2 / 0.9e1 * t49 * t58 * t370… in func_ferr()
795 t49 = t6 * t18 * t47; in func_pol()
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