| /dports/science/mpqc/mpqc-2.3.1/src/lib/chemistry/qc/oint3/ |
| H A D | i0202AB.cc | 68 double t65; in i0202eAB() local
311 t65=t9*t17; in i0202eAB()
315 t65=t29*t3; in i0202eAB()
330 t48=t65*t3; in i0202eAB()
381 t41=t65*t5; in i0202eAB()
386 t73=t65*t7; in i0202eAB()
425 t7=t65*t75; in i0202eAB()
470 t77=t65*t8; in i0202eAB()
472 t8=t65*t17; in i0202eAB()
521 t49=t65*t7; in i0202eAB()
[all …]
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| H A D | i1212AB.cc | 68 double t65; in i1212eAB() local
290 t65=t9*t17; in i1212eAB()
292 t67=t66+t65; in i1212eAB()
294 t65=t29*t3; in i1212eAB()
309 t48=t65*t3; in i1212eAB()
360 t41=t65*t5; in i1212eAB()
365 t73=t65*t7; in i1212eAB()
404 t7=t65*t75; in i1212eAB()
449 t58=t65*t8; in i1212eAB()
451 t8=t65*t17; in i1212eAB()
[all …]
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| H A D | i0212AB.cc | 68 double t65; in i0212eAB() local
303 t65=t9*t17; in i0212eAB()
305 t67=t66+t65; in i0212eAB()
307 t65=t29*t3; in i0212eAB()
322 t48=t65*t3; in i0212eAB()
373 t41=t65*t5; in i0212eAB()
378 t73=t65*t7; in i0212eAB()
417 t7=t65*t75; in i0212eAB()
462 t58=t65*t8; in i0212eAB()
464 t8=t65*t17; in i0212eAB()
[all …]
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| H A D | i3302AB.cc | 68 double t65; in i3302eAB() local
285 t65=t64+t63; in i3302eAB()
286 t63=t1*t65; in i3302eAB()
311 t76=t3*t65; in i3302eAB()
351 t86=t5*t65; in i3302eAB()
369 t5=t31*t65; in i3302eAB()
377 t97=t50*t65; in i3302eAB()
395 t32=t58*t65; in i3302eAB()
866 t65=t1*t17; in i3302eAB()
871 t65=t1*t35; in i3302eAB()
[all …]
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| H A D | i3312AB.cc | 68 double t65; in i3312eAB() local
285 t65=t64+t63; in i3312eAB()
286 t63=t1*t65; in i3312eAB()
311 t76=t3*t65; in i3312eAB()
351 t86=t5*t65; in i3312eAB()
369 t5=t31*t65; in i3312eAB()
377 t97=t50*t65; in i3312eAB()
395 t32=t58*t65; in i3312eAB()
635 t28=t50*t65; in i3312eAB()
755 t42=t14*t65; in i3312eAB()
[all …]
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| H A D | i3322.cc | 68 double t65; in i3322() local
347 t65=t64+t63; in i3322()
348 t63=t1*t65; in i3322()
947 t11=t1*t65; in i3322()
1167 t5=t18*t65; in i3322()
1181 t65=t5+t60; in i3322()
1202 t65=t8+t5; in i3322()
1203 t5=t1*t65; in i3322()
1219 t65=t8+t5; in i3322()
1244 t5=t1*t65; in i3322()
[all …]
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| H A D | i1322.cc | 68 double t65; in i1322() local
356 t65=t64+t63; in i1322()
357 t63=t1*t65; in i1322()
980 t11=t1*t65; in i1322()
1212 t5=t18*t65; in i1322()
1226 t65=t5+t60; in i1322()
1249 t65=t8+t5; in i1322()
1250 t5=t1*t65; in i1322()
1267 t65=t8+t5; in i1322()
1293 t5=t1*t65; in i1322()
[all …]
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| H A D | i0322.cc | 68 double t65; in i0322() local
360 t65=t64+t63; in i0322()
361 t63=t1*t65; in i0322()
988 t11=t1*t65; in i0322()
1220 t5=t18*t65; in i0322()
1234 t65=t5+t60; in i0322()
1257 t65=t8+t5; in i0322()
1258 t5=t1*t65; in i0322()
1275 t65=t8+t5; in i0322()
1301 t5=t1*t65; in i0322()
[all …]
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| H A D | i2322.cc | 68 double t65; in i2322() local
351 t65=t64+t63; in i2322()
352 t63=t1*t65; in i2322()
969 t11=t1*t65; in i2322()
1195 t5=t18*t65; in i2322()
1209 t65=t5+t60; in i2322()
1231 t65=t8+t5; in i2322()
1232 t5=t1*t65; in i2322()
1249 t65=t8+t5; in i2322()
1274 t5=t1*t65; in i2322()
[all …]
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| H A D | i0303.cc | 68 double t65; in i0303() local
539 t65=t64+t63; in i0303()
540 t63=t4*t65; in i0303()
587 t75=t9*t65; in i0303()
2526 t65=t9*t94; in i0303()
2879 t3=t43*t65; in i0303()
3107 t65=t8*t95; in i0303()
3109 t65=t4*t67; in i0303()
3676 t2=t65+t59; in i0303()
3684 t65=t17+t2; in i0303()
[all …]
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| /dports/science/afni/afni-AFNI_21.3.16/src/ |
| H A D | dmat44.c | 11 t46 , t49 , t50 , t52 , t54 , t57 , t60 , t63 , t65 , in generic_dmat44_inverse() local
38 t65 = t42+t63 ; /* determinant */ in generic_dmat44_inverse()
39 if( t65 == 0.0 ){ memset(&Q,0,sizeof(dmat44)); return Q; } in generic_dmat44_inverse()
40 t65 = 1.0/t65 ; in generic_dmat44_inverse()
50 -p42*p23*p34+p42*p24*p33)*t65; in generic_dmat44_inverse()
52 Q.m[0][2] = -(-t81*p44+t83*p43+t85*p44-t87*p43-t75*p24+t77*p23)*t65; in generic_dmat44_inverse()
53 Q.m[0][3] = -(t81*p34-t83*p33-t85*p34+t87*p33+t71*p24-t73*p23)*t65; in generic_dmat44_inverse()
60 Q.m[2][2] = (t14*p44-t131*p42-t29*p44+t135*p42+t54*p24-t125*p22)*t65; in generic_dmat44_inverse()
77 t46 , t49 , t50 , t52 , t54 , t57 , t60 , t63 , t65 ; in generic_dmat44_determinant() local
101 t65 = t42+t63 ; in generic_dmat44_determinant()
[all …]
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| /dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/dft/ |
| H A D | fun-b97-3.c | 375 t65 = rhob+rhoa; in b97_3_first()
394 t83 = 1/t65; in b97_3_first()
1185 t48*t68*t65-1.0368000000000002E-8*ccab[2]*t200*t48*t68*t65+ in b97_3_second()
1353 ccab[4]*t66*t65*t61-3.8880000000000006E-9*ccab[3]*t66*t65* in b97_3_second()
1359 t68*t65*t161+7.7760000000000013E-9*ccab[2]*t60*t68*t65*t161- in b97_3_second()
1994 t48*t68*t65-1.0368000000000002E-8*ccab[2]*t200*t48*t68*t65+ in b97_3_third()
2190 ccab[4]*t66*t65*t61-3.8880000000000006E-9*ccab[3]*t66*t65* in b97_3_third()
2845 t48*t68*t65-4.1472000000000002E-8*ccab[4]*t30*t47*t62*t65+ in b97_3_third()
2891 t65*t161+9.3312000000000009E-8*ccab[3]*t22*t60*t49*t62*t65* in b97_3_third()
4212 ccab[4]*t66*t65*t61-3.8880000000000006E-9*ccab[3]*t66*t65* in b97_3_fourth()
[all …]
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| H A D | fun-1-4.c | 362 t65 = rhob+ in f14_first()
379 t80 = 1/pow(t65,4.0); in f14_first()
382 t83 = 1/t65; in f14_first()
2362 t22*t48*t68*t65+2.27079707904E-6*t30*t47*t62*t65-2.6334139392E-10* in f14_third()
2551 gradb*t23*t68*t65*t61-1.70309780928E-6*t22*gradb*t32*t62*t65* in f14_third()
3790 t22*t48*t68*t65+2.27079707904E-6*t30*t47*t62*t65-2.6334139392E-10* in f14_fourth()
5078 t68*t65*t176+2.7249564948479993E-5*t200*t60*t218*t62*t65*t176+ in f14_fourth()
5091 t68*t65*t176+8.073945169919998E-6*t30*gradb*t218*t62*t65*t176- in f14_fourth()
5148 t22*t219*t68*t65*t61-3.02772943872E-6*t30*t218*t62*t65*t61+ in f14_fourth()
5728 t208*t23*t62*t65*t175+3.6721087948799996E-6*t22*t208*t32*t65* in f14_fourth()
[all …]
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| H A D | fun-hcth120.c | 1669 t66*t65+1.344674304e-4*t29*t214*t60*t65-7.26244992e-7*t21* in hcth120_third()
1709 t48*t66*t65-1.008505728e-4*t196*t47*t60*t65+3.96133632e-7* in hcth120_third()
2195 t21*t58*t215*t60*t65*t173-2.440820736e-4*t29*t58*t214*t65* in hcth120_third()
2287 grada*t58*t48*t60*t65*t173+1.830615552e-4*t196*t58*t47*t65* in hcth120_third()
2496 gradb*t22*t60*t65*t59+1.029721248e-4*t21*gradb*t31*t65*t59- in hcth120_third()
3132 t66*t65+1.344674304e-4*t29*t214*t60*t65-7.26244992e-7*t21* in hcth120_fourth()
3172 t48*t66*t65-1.008505728e-4*t196*t47*t60*t65+3.96133632e-7* in hcth120_fourth()
3583 t21*t58*t215*t60*t65*t173-2.440820736e-4*t29*t58*t214*t65* in hcth120_fourth()
3675 grada*t58*t48*t60*t65*t173+1.830615552e-4*t196*t58*t47*t65* in hcth120_fourth()
5206 t58*t48*t60*t65*t173+9.153077759999999e-4*t21*t58*t47*t65* in hcth120_fourth()
[all …]
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| H A D | fun-hcth407.c | 1668 t66*t65+1.605332736e-4*t29*t214*t60*t65-1.873783296e-6*t21* in hcth407_third()
1708 t48*t66*t65-1.203999552e-4*t196*t47*t60*t65+1.022063616e-6* in hcth407_third()
2194 t21*t58*t215*t60*t65*t173-2.624707584e-4*t29*t58*t214*t65* in hcth407_third()
2287 grada*t58*t48*t60*t65*t173+1.968530688e-4*t196*t58*t47*t65* in hcth407_third()
2496 gradb*t22*t60*t65*t59+1.107298512e-4*t21*gradb*t31*t65*t59- in hcth407_third()
3131 t66*t65+1.605332736e-4*t29*t214*t60*t65-1.873783296e-6*t21* in hcth407_fourth()
3171 t48*t66*t65-1.203999552e-4*t196*t47*t60*t65+1.022063616e-6* in hcth407_fourth()
3582 t21*t58*t215*t60*t65*t173-2.624707584e-4*t29*t58*t214*t65* in hcth407_fourth()
3674 grada*t58*t48*t60*t65*t173+1.968530688e-4*t196*t58*t47*t65* in hcth407_fourth()
3700 t21*t47*t60*t65-1.476398016e-4*t29*t46*t65+1.022063616e-6* in hcth407_fourth()
[all …]
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| H A D | fun-hcth407p.c | 1711 t65-6.057216E-5*t196*t47*t60*t65+6.2036928E-7*grada*t48*t64* in hcth407p_third()
2139 t65-8.8839168E-4*t29*t367*t60*t65-1.3451673599999998E-4*t26* in hcth407p_third()
2321 grada*gradb*t48*t60*t65*t59-7.5665664E-5*t196*gradb*t47*t65* in hcth407p_third()
3167 t65-6.057216E-5*t196*t47*t60*t65+6.2036928E-7*grada*t48*t64* in hcth407p_fourth()
3604 t215*t60*t65*t59+1.0088755199999999E-4*t29*gradb*t214*t65* in hcth407p_fourth()
3701 grada*gradb*t48*t60*t65*t59-7.5665664E-5*t196*gradb*t47*t65* in hcth407p_fourth()
3892 t22*t60*t65*t59+5.674924800000001E-5*t21*gradb*t31*t65*t59- in hcth407p_fourth()
4685 t21*t58*t368*t60*t65*t173+0.001479684096*t29*t58*t367*t65* in hcth407p_fourth()
4993 t60*t65+0.001185428736*t29*t213*t65-2.27468736E-6*t215*t64* in hcth407p_fourth()
5172 grada*t58*t48*t60*t65*t315-3.69921024E-4*t196*t58*t47*t65* in hcth407p_fourth()
[all …]
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwxc/maxima/f77/ |
| H A D | nwxcm_x_m06.F | 304 9 2d-3*gammaaa*t50*t54*t65+2.0d+0*gammaaa*t50*t51*t65-7.469
653 9 2d-3*gammaaa*t50*t54*t65+2.0d+0*gammaaa*t50*t51*t65-7.469
771 9 2d-3*gammabb*t50*t54*t65+2.0d+0*gammabb*t50*t51*t65-7.469
1055 3 5*t66-2*t47*t48*t49*t65*t66-t44*t50*t55*t65-gammaaa*t1*t5
1156 3 5*t68-1.0d+0*t5*t65*t67-1.3333333333333333d+0*t56*t60*t65
1168 4 t65*t70*t84+1.120356d-2*t1*t52*t53*t65*t84+1.120356d-2*ga
1169 5 mmaaa*t44*t49*t51*t65*t84+3.73452d-3*t1*t44*t55*t65*t66+3
1170 6 .73452d-3*gammaaa*t49*t54*t65*t66-2*t1*t44*t51*t65*t66-4*
3260 5 08*t56*t65*t88+7.46904d-3*t65*t66*t71*t77+3.73452d-3*t65*
5318 5 08*t56*t65*t88+7.46904d-3*t65*t66*t71*t77+3.73452d-3*t65*
[all …]
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| H A D | nwxcm_x_wpbe.F | 613 t69 = -2.4d+0*t65*t68-1.417963080724413d+0*t65+2.83637333333
1056 t69 = -2.4d+0*t65*t68-1.417963080724413d+0*t65+2.83637333333
1276 t69 = -2.4d+0*t65*t68-1.417963080724413d+0*t65+2.83637333333
2136 1 9192d+0*t212*t65+5.672746666666666d-2*t201*t65+4.74595999
2339 8 96d-2*t238*t65+5.672746666666666d-2*t237*t65-5.4519192d+0
2783 2 *t61*t65+1.6455307846020562d-2*t16*t17*t25*t61*t65-1.6455
3905 1 17*t61*t65*t89+1.6455307846020562d-2*t16*t17*t25*t61*t65+
4203 1 173*t61*t65*t88-4.38808209227215d-2*t17*t25*t61*t65*t78-4
4548 1 17*t61*t65*t89+1.6455307846020562d-2*t16*t17*t25*t61*t65+
4846 1 173*t61*t65*t88-4.38808209227215d-2*t17*t25*t61*t65*t78-4
[all …]
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/nwxc/maxima/f77/ |
| H A D | nwxcm_x_m06.F | 304 9 2d-3*gammaaa*t50*t54*t65+2.0d+0*gammaaa*t50*t51*t65-7.469
653 9 2d-3*gammaaa*t50*t54*t65+2.0d+0*gammaaa*t50*t51*t65-7.469
771 9 2d-3*gammabb*t50*t54*t65+2.0d+0*gammabb*t50*t51*t65-7.469
1055 3 5*t66-2*t47*t48*t49*t65*t66-t44*t50*t55*t65-gammaaa*t1*t5
1156 3 5*t68-1.0d+0*t5*t65*t67-1.3333333333333333d+0*t56*t60*t65
1168 4 t65*t70*t84+1.120356d-2*t1*t52*t53*t65*t84+1.120356d-2*ga
1169 5 mmaaa*t44*t49*t51*t65*t84+3.73452d-3*t1*t44*t55*t65*t66+3
1170 6 .73452d-3*gammaaa*t49*t54*t65*t66-2*t1*t44*t51*t65*t66-4*
3260 5 08*t56*t65*t88+7.46904d-3*t65*t66*t71*t77+3.73452d-3*t65*
5318 5 08*t56*t65*t88+7.46904d-3*t65*t66*t71*t77+3.73452d-3*t65*
[all …]
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| H A D | nwxcm_x_wpbe.F | 613 t69 = -2.4d+0*t65*t68-1.417963080724413d+0*t65+2.83637333333
1056 t69 = -2.4d+0*t65*t68-1.417963080724413d+0*t65+2.83637333333
1276 t69 = -2.4d+0*t65*t68-1.417963080724413d+0*t65+2.83637333333
2136 1 9192d+0*t212*t65+5.672746666666666d-2*t201*t65+4.74595999
2339 8 96d-2*t238*t65+5.672746666666666d-2*t237*t65-5.4519192d+0
2783 2 *t61*t65+1.6455307846020562d-2*t16*t17*t25*t61*t65-1.6455
3905 1 17*t61*t65*t89+1.6455307846020562d-2*t16*t17*t25*t61*t65+
4203 1 173*t61*t65*t88-4.38808209227215d-2*t17*t25*t61*t65*t78-4
4548 1 17*t61*t65*t89+1.6455307846020562d-2*t16*t17*t25*t61*t65+
4846 1 173*t61*t65*t88-4.38808209227215d-2*t17*t25*t61*t65*t78-4
[all …]
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| /dports/science/libxc/libxc-5.0.0/src/maple2c/lda_exc/ |
| H A D | lda_x_1d_soft.c | 229 double t64, t65, t67, t69, t71, t72, t73, t74; in func_pol() local
341 t65 = t1 * t64; in func_pol()
342 t67 = -0.2e1 * t32 + 0.2e1 * t65; in func_pol()
371 t114 = (0.2e1 * t65 * t9 + 0.20e1 * t110 * t74 + t80 - t83) * t14; in func_pol()
373 t122 = (-0.2e1 * t65 * t23 + 0.20e1 * t118 * t94 + t100 - t102) * t14; in func_pol()
377 t129 = 0.2e1 * t32 + 0.2e1 * t65; in func_pol()
447 …t253 = (0.2e1 * t64 * t9 - 0.6e1 * t163 * t9 + 0.80e1 * t65 * t77 + 0.20e1 * t246 * t74 - 0.20e1 *… in func_pol()
449 …t268 = (-0.2e1 * t64 * t23 + 0.6e1 * t163 * t23 - 0.80e1 * t65 * t97 + 0.20e1 * t261 * t94 - 0.20e… in func_pol()
570 …+ t463 - t465 + t468 + t546 - 0.360e2 * t163 * t77 + 0.120e2 * t65 * t183 - 0.120e2 * t65 * t186 -… in func_pol()
572 …+ t524 - t526 + t529 - t570 + 0.360e2 * t163 * t97 - 0.120e2 * t65 * t219 + 0.120e2 * t65 * t222 -… in func_pol()
[all …]
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| H A D | lda_c_rpa.c | 36 double t65, t70; in func_unpol() local
107 t65 = t33 * t33; in func_unpol()
108 t70 = t6 / t7 / t65; in func_unpol()
110 … + 0.46296296296296296300e-2 * t58 + rho[0] * (0.62200000000000000002e-1 / t65 + 0.777777777777777… in func_unpol()
149 double t65, t70; in func_ferr() local
220 t65 = t33 * t33; in func_ferr()
221 t70 = t6 / t7 / t65; in func_ferr()
223 … + 0.46296296296296296300e-2 * t58 + rho[0] * (0.62200000000000000002e-1 / t65 + 0.777777777777777… in func_ferr()
|
| H A D | lda_x_1d_exponential.c | 231 double t64, t65, t67, t69, t71, t72, t73, t74; in func_pol() local
350 t65 = t1 * t64; in func_pol()
351 t67 = -0.2e1 * t32 + 0.2e1 * t65; in func_pol()
387 t118 = (t115 * t80 + 0.2e1 * t65 * t9 + t84 - t87) * t14; in func_pol()
389 t125 = (t122 * t101 - 0.2e1 * t65 * t23 + t105 - t107) * t14; in func_pol()
393 t132 = 0.2e1 * t32 + 0.2e1 * t65; in func_pol()
481 …t263 = (t115 * t190 - 0.6e1 * t162 * t9 + t259 * t80 + 0.2e1 * t64 * t9 + 0.4e1 * t65 * t82 + t193… in func_pol()
626 …t65 * t194 * t189 + t49 * t453 * t80 + 0.6e1 * t64 * t72 * t80 + t115 * t463 + t115 * t465 - 0.12e… in func_pol()
629 …01 - 0.6e1 * t65 * t235 * t230 + 0.18e2 * t162 * t103 + t122 * t542 + t122 * t544 + 0.12e2 * t161 … in func_pol()
634 t629 = t65 * t287; in func_pol()
[all …]
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/xc/ |
| H A D | xc_xbecke88_lr_adiabatic.F | 550 t200 = t199*t65
583 t267 = t266*t65
697 t526 = t65*t17
1678 t3093 = (3*t496*t865*t65) + (3*t1189*t266*t65) &
1680 + (t187*t2280*t65) + (3*t496*t863*t65) + 0.2222222223e0_dp &
1693 *t68*t3070*t65 + 0.1646090535e0_dp*t192*t97*t187*t65* &
1944 … t65) + (2*t496*t1504*t65) + (t187*t3513*t65) - &
4454 t3093 = (3*t496*t865*t65) + (3*t1189*t266*t65) &
4456 + (t187*t2280*t65) + (3*t496*t863*t65) + 0.2222222223e0_dp &
4469 *t68*t3070*t65 + 0.1646090535e0_dp*t192*t97*t187*t65* &
[all …]
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| /dports/science/cp2k-data/cp2k-7.1.0/src/xc/ |
| H A D | xc_xbecke88_lr_adiabatic.F | 550 t200 = t199*t65
583 t267 = t266*t65
697 t526 = t65*t17
1678 t3093 = (3*t496*t865*t65) + (3*t1189*t266*t65) &
1680 + (t187*t2280*t65) + (3*t496*t863*t65) + 0.2222222223e0_dp &
1693 *t68*t3070*t65 + 0.1646090535e0_dp*t192*t97*t187*t65* &
1944 … t65) + (2*t496*t1504*t65) + (t187*t3513*t65) - &
4454 t3093 = (3*t496*t865*t65) + (3*t1189*t266*t65) &
4456 + (t187*t2280*t65) + (3*t496*t863*t65) + 0.2222222223e0_dp &
4469 *t68*t3070*t65 + 0.1646090535e0_dp*t192*t97*t187*t65* &
[all …]
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