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/dports/science/mpqc/mpqc-2.3.1/src/lib/chemistry/qc/oint3/
H A Di0201AB.cc29 double t26; in i0201eAB() local
109 t26=t25+t23; in i0201eAB()
115 t22=t19+t26; in i0201eAB()
117 t26=t1*t19; in i0201eAB()
123 t29=t26*t5; in i0201eAB()
137 t5=t26*t7; in i0201eAB()
138 t8=t26*t5; in i0201eAB()
155 t7=t26*t12; in i0201eAB()
186 t4=t26*t2; in i0201eAB()
190 t2=t26*t8; in i0201eAB()
[all …]
H A Di1201AB.cc29 double t26; in i1201eAB() local
105 t26=t25+t23; in i1201eAB()
110 t22=t19+t26; in i1201eAB()
112 t26=t1*t19; in i1201eAB()
118 t29=t26*t5; in i1201eAB()
132 t5=t26*t7; in i1201eAB()
133 t8=t26*t5; in i1201eAB()
150 t7=t26*t12; in i1201eAB()
181 t4=t26*t2; in i1201eAB()
185 t2=t26*t8; in i1201eAB()
[all …]
H A Di3301AB.cc29 double t26; in i3301eAB() local
138 t26=t9+t34; in i3301eAB()
139 t9=t2*t26; in i3301eAB()
308 t39=t8+t26; in i3301eAB()
313 t26=t10+t8; in i3301eAB()
318 t8=t21+t26; in i3301eAB()
347 t3=t50*t26; in i3301eAB()
351 t26=t4+t3; in i3301eAB()
353 t4=t3+t26; in i3301eAB()
373 t26=t3+t6; in i3301eAB()
[all …]
H A Di3311AB.cc29 double t26; in i3311eAB() local
120 t27=t26+t19; in i3311eAB()
122 t26=t13*t19; in i3311eAB()
128 t31=t29+t26; in i3311eAB()
129 t26=t1*t27; in i3311eAB()
131 t32=t29+t26; in i3311eAB()
257 t19=t26+t3; in i3311eAB()
262 t26=t19+t3; in i3311eAB()
263 t3=t42*t26; in i3311eAB()
269 t26=t15*t3; in i3311eAB()
[all …]
H A Di2311.cc29 double t26; in i2311() local
142 t12=t10+t26; in i2311()
144 t26=t10+t23; in i2311()
146 t27=t10+t26; in i2311()
148 t26=t10+t25; in i2311()
150 t25=t10+t26; in i2311()
198 t26=t2*t32; in i2311()
201 t26=t2*t42; in i2311()
203 t26=t5*t35; in i2311()
205 t26=t2*t43; in i2311()
[all …]
H A Di0303.cc29 double t26; in i0303() local
373 t26=t24+t23; in i0303()
374 t23=t3*t26; in i0303()
467 t44=t30*t26; in i0303()
479 t44=t5*t26; in i0303()
537 t63=t45*t26; in i0303()
643 t98=t72*t26; in i0303()
878 t48=t88*t26; in i0303()
880 t48=t45*t26; in i0303()
2141 t26=t9*t57; in i0303()
[all …]
H A Di3311.cc29 double t26; in i3311() local
142 t12=t10+t26; in i3311()
144 t26=t10+t23; in i3311()
146 t27=t10+t26; in i3311()
148 t26=t10+t25; in i3311()
150 t25=t10+t26; in i3311()
194 t26=t2*t32; in i3311()
197 t26=t2*t42; in i3311()
199 t26=t5*t35; in i3311()
201 t26=t2*t43; in i3311()
[all …]
H A Di1311.cc29 double t26; in i1311() local
146 t12=t10+t26; in i1311()
148 t26=t10+t23; in i1311()
150 t27=t10+t26; in i1311()
152 t26=t10+t25; in i1311()
154 t25=t10+t26; in i1311()
203 t26=t2*t32; in i1311()
206 t26=t2*t42; in i1311()
208 t26=t5*t35; in i1311()
210 t26=t2*t43; in i1311()
[all …]
H A Di0311.cc29 double t26; in i0311() local
149 t12=t10+t26; in i0311()
151 t26=t10+t23; in i0311()
153 t27=t10+t26; in i0311()
155 t26=t10+t25; in i0311()
157 t25=t10+t26; in i0311()
207 t26=t2*t32; in i0311()
210 t26=t2*t42; in i0311()
212 t26=t5*t35; in i0311()
214 t26=t2*t43; in i0311()
[all …]
H A Di1313.cc29 double t26; in i1313() local
363 t26=t24+t23; in i1313()
364 t23=t3*t26; in i1313()
448 t44=t30*t26; in i1313()
460 t44=t5*t26; in i1313()
518 t61=t44*t26; in i1313()
624 t96=t70*t26; in i1313()
857 t48=t86*t26; in i1313()
859 t48=t44*t26; in i1313()
2077 t26=t9*t55; in i1313()
[all …]
H A Di0313.cc29 double t26; in i0313() local
364 t26=t24+t23; in i0313()
365 t23=t3*t26; in i0313()
458 t44=t30*t26; in i0313()
470 t44=t5*t26; in i0313()
528 t61=t44*t26; in i0313()
634 t96=t70*t26; in i0313()
869 t48=t86*t26; in i0313()
871 t48=t44*t26; in i0313()
2100 t26=t9*t55; in i0313()
[all …]
/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/dft/
H A Dfun-lg93.c277 t26 = 1/t5; in lg93_second_helper()
324 t7*t38*t28)*t26*t35*t36+0.033298666666667*t43*t26*t35*t27+ in lg93_second_helper()
403 t26 = 1/t5; in lg93_third_helper()
464 t45-0.024350299324*t48*t26*t49*t36+0.024974*t56*t26*t35*t36+ in lg93_third_helper()
483 t24*t26/pow(rhoa,1.666666666666667)+0.048092474272682*t26* in lg93_third_helper()
487 t48*t26*t49*t27+0.099896*t56*t26*t35*t27-4.8700598648E-10* in lg93_third_helper()
515 t7*t12*t28)*t26*t35*t36-0.032467065765333*t60*t26*t49*t27+ in lg93_third_helper()
613 t26 = 1/t5; in lg93_fourth_helper()
794 t58*t48*t26*t68*t36+0.144277422818047*t56*t34*t43*t26*t68* in lg93_fourth_helper()
802 t26*t49*t27+0.099896*t77*t26*t35*t27+9.61849485453648E-10* in lg93_fourth_helper()
[all …]
H A Dfun-lrc95x.c297 t34*t39-2.0*t20*t26*t34-2.0*t25*t26*t33-2.0*(-1.1254*t3*t5* in lrc95x_second_helper()
414 2.0*t20*t26*t34-2.0*t25*t26*t33; in lrc95x_third_helper()
452 t25*t27*t43*t53-4.0*t20*t26*t53-4.0*t25*t26*t52+4.0*t27*t34* in lrc95x_third_helper()
453 t43*t47-2.0*t26*t33*t47-2.0*t26*t27*(2.625933333333333*t3* in lrc95x_third_helper()
462 2.0*t20*t26*t58+4.0*t20*t43*t57-2.0*t25*t26*t56+8.0*t27*t34* in lrc95x_third_helper()
463 t43*t53-4.0*t26*t33*t53-4.0*t26*t34*t52+8.0*t25*t33*t34*t43- in lrc95x_third_helper()
597 2.0*t20*t26*t34-2.0*t25*t26*t33; in lrc95x_fourth_helper()
698 t20*t26*t77-6.0*t25*t26*t76+4.0*t27*t34*t43*t72-2.0*t26*t33* in lrc95x_fourth_helper()
713 t26*t80+8.0*t27*t34*t43*t77-4.0*t26*t33*t77-4.0*t26*t34*t76- in lrc95x_fourth_helper()
728 t86-2.0*t20*t26*t86-12.0*t20*t68*t85-2.0*t25*t26*t84+12.0* in lrc95x_fourth_helper()
[all …]
H A Dfun-pbec.c187 t26 = 1/pow(t1,4.0); in pbec_energy()
274 t26 = 1/(2.0*t17-2.0); in pbec_first()
296 t45 = t26*t28*t29*t35*t44; in pbec_first()
359 t94 = t26*t28*t29*t86*t44; in pbec_first()
513 t26 = 1/(2.0*t17-2.0); in pbec_second()
535 t45 = t26*t28*t29*t35*t44; in pbec_second()
694 t106*t26*t28*t29*t35; in pbec_second()
740 t26*t101*t31*t95*t38; in pbec_second()
931 t26*t30*t31*t95*t38+.0395035794051304*t26*t101*t31*t35*t38+ in pbec_second()
1048 t100*t26*t29*t35*t44+2.0*t132*t26*t28*t29*t44+.0395035794051304* in pbec_second()
[all …]
H A Dfun-pw92ac.c183 t26 = 1/ in pw92ac_first()
297 0.458*t3*t7*t26+t28+0.152666666666667*t2*t3*t24*t25*t26-0.458* in pw92ac_second()
310 0.458*t3*t7*t26+t28+0.152666666666667*t2*t3*t47*t25*t26-0.458* in pw92ac_second()
376 t7*t26+0.152666666666667*t2*t3*t68*t25*t26+0.305333333333333* in pw92ac_second()
377 t3*t24*t25*t26-0.712444444444445*t2*t27*t24*t25*t26-0.916* in pw92ac_second()
637 t3*t24*t25*t26-0.356222222222222*t2*t27*t24*t25*t26+0.458* in pw92ac_third()
819 t26+1.424888888888889*t2*t27*t67*t68*t26-0.610666666666667* in pw92ac_third()
855 t2*t3*t70*t47*t68*t26-0.407111111111111*t3*t24*t47*t68*t26- in pw92ac_third()
1021 t2*t3*t205*t25*t26-0.458*t3*t118*t25*t26-1.068666666666667* in pw92ac_third()
1350 t3*t24*t25*t26-0.356222222222222*t2*t27*t24*t25*t26+0.458* in pw92ac_fourth()
[all …]
H A Dfun-mpwx.c215 real t19, t20, t21, t22, t23, t24, t25, t26; in mpwx_second_helper() local
247 t26 = 1/pow(t25,3.626666666666667); in mpwx_second_helper()
249 t26-0.01136*t9*t16-4.388*t11*t22*t23*t12; in mpwx_second_helper()
262 t38 = -3.639457589892744E-6*t1*t24*t18*t26+t19+t17; in mpwx_second_helper()
292 t2*t26+0.05112*t15*t10-0.02556*t9*t37*t29); in mpwx_second_helper()
328 real t19, t20, t21, t22, t23, t24, t25, t26; in mpwx_third_helper() local
363 t26 = 1/pow(t25,3.626666666666667); in mpwx_third_helper()
365 t26-0.01136*t9*t16-4.388*t11*t22*t23*t12; in mpwx_third_helper()
521 real t19, t20, t21, t22, t23, t24, t25, t26; in mpwx_fourth_helper() local
559 t26 = 1/pow(t25,3.626666666666667); in mpwx_fourth_helper()
[all …]
/dports/science/chrono/chrono-7.0.1/src/chrono/fea/
H A DChLinkPointTriface.cpp290 Jxb1(0, 0) = -s1 + (d * t17 * t26 * t35) / 2; in ConstraintsLoadJacobians()
294 Jxb1(1, 1) = -s1 + (d * t11 * t26 * t37) / 2; in ConstraintsLoadJacobians()
297 Jxb1(2, 1) = -(d * t7 * t26 * t37) / 2 + t58; in ConstraintsLoadJacobians()
298 Jxb1(2, 2) = -s1 - (d * t7 * t26 * t40) / 2; in ConstraintsLoadJacobians()
300 Jxb2(0, 0) = -s2 - (d * t17 * t26 * t43) / 2; in ConstraintsLoadJacobians()
303 …Jxb2(1, 0) = -d * t8 * t28 + (d * t11 * t26 * t43) / 2, Jxb2(1, 1) = -s2 - (d * t11 * t26 * t45) /… in ConstraintsLoadJacobians()
305 Jxb2(2, 0) = -(d * t7 * t26 * t43) / 2 + t60; in ConstraintsLoadJacobians()
307 Jxb2(2, 2) = -s2 + (d * t7 * t26 * t48) / 2; in ConstraintsLoadJacobians()
309 Jxb3(0, 0) = -s3 + (d * t17 * t26 * t52) / 2; in ConstraintsLoadJacobians()
317 Jxb3(2, 2) = -s3 - (d * t7 * t26 * t57) / 2; in ConstraintsLoadJacobians()
[all …]
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwxc/maxima/f77/
H A Dnwxcm_x_sogga.F146 2 a*t25*t26*t7*t8-1.962820760578067d-2*gammaaa*t2*t25*t26*t
150 6 *t26-3.925641521156134d-2*gammaaa*t15*t19*t20*t26-2.94423
285 2 *t25*t26*t7*t8-1.962820760578067d-2*gammaaa*t2*t25*t26*t6
289 6 t26-3.925641521156134d-2*gammaaa*t15*t19*t20*t26-2.944231
331 2 *t25*t26*t7*t8-1.962820760578067d-2*gammabb*t2*t25*t26*t6
335 6 t26-3.925641521156134d-2*gammabb*t15*t19*t20*t26-2.944231
491 2 ammaaa*t2*t26*t27*t6-9.814103802890335d-3*gammaaa*t13*t26
564 7 2*t26*t3*t6+3.6802889260838756d-3*t13*t26*t3+1.8401444630
573 1 2d-1*t1*(t26*t3*(2.708905315891122d-4*t12*t26*t3*t9+8.126
574 2 715947673364d-5*t26*t3*t6*t8+1.625343189534673d-4*t10*t26
[all …]
H A Dnwxcm_x_camrpbe.F176 t26 = 1/t10**3
246 t27 = 1.0d+0-t26
361 t26 = 1/t10**3
423 t26 = 1/t10**3
814 t27 = 1.0d+0-t26
1714 + *t16*t26*t29*t32
2108 t27 = 1.0d+0-t26
2418 + *t159*t160*t26-3.386130477833154d-2*gammabb*t127*t26
2444 + *t100*t172*t26-2.550431938149111d-4*gammabb*t101*t26
2754 + *t20*t26*t76+1.895706072196977d-2*t104*t20*t26*t58*t75
[all …]
H A Dnwxcm_x_m06_2x.F258 t26 = t9**6
438 8 120575993d+1*t26*t27*t28*t42+9.115599744691193d+1*t24*t26
519 8 120575993d+1*t26*t27*t28*t42+9.115599744691193d+1*t24*t26
778 3 *t29*t31-1.0d+1*t26*t27*t28-1.2d+1*t24*t26*t28-1.2d+1*t23
1025 t100 = -1.2d+1*t25*t26-1.4d+1*t22*t26
1058 4 *t26-1.4d+1*t22*t24*t26-1.4d+1*t21*t22*t23-1.6d+1*t19*t21
1103 1 +3*t21*t25*t26*t5-2.2620076536473846d+4*t21*t22*t26*t5+1.
1249 9 21*(1.96d+2*t22*t26+2.24d+2*t19*t26-1.4d+1*t100))*wght
1867 t59 = -1.2d+1*t25*t26-1.4d+1*t22*t26
3110 t59 = -1.2d+1*t25*t26-1.4d+1*t22*t26
[all …]
H A Dnwxcm_x_vs98.F203 t28 = t24*t25*t26*t8+t7+t13*t26*t27+gammabb*t12*t19*t21*t26+
230 5 t35-t16*t21*t26*t34-gammabb*t15*t19*t26*t34-2.66666666666
243 3 5*t26-1.86726d-3*t16*t19*t21*t26+t12*t19*t21*t26+t15*t19*
252 2 b*t15*t26*t38+2.0d+0*gammabb*t12*t26*t38-7.46904d-3*t13*t
254 4 t26+2.0d+0*t16*t20*t23)-3.73452d-3*t26*t28/t36)*wght+Mmat
652 t28 = t24*t25*t26*t8+t7+t13*t26*t27+gammabb*t12*t19*t21*t26+
675 4 *t37*t38-t16*t21*t26*t37-gammabb*t15*t19*t26*t37-2.666666
689 2 .86726d-3*gammabb*t15*t25*t26-1.86726d-3*t16*t19*t21*t26+
704 3 1*t26+4.0d+0*t13*t20*t21*t26+2.0d+0*t16*t20*t23
1723 t28 = t24*t25*t26*t8+t7+t13*t26*t27+gammabb*t12*t19*t21*t26+
[all …]
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwxc/maxima/f77/
H A Dnwxcm_x_sogga.F146 2 a*t25*t26*t7*t8-1.962820760578067d-2*gammaaa*t2*t25*t26*t
150 6 *t26-3.925641521156134d-2*gammaaa*t15*t19*t20*t26-2.94423
285 2 *t25*t26*t7*t8-1.962820760578067d-2*gammaaa*t2*t25*t26*t6
289 6 t26-3.925641521156134d-2*gammaaa*t15*t19*t20*t26-2.944231
331 2 *t25*t26*t7*t8-1.962820760578067d-2*gammabb*t2*t25*t26*t6
335 6 t26-3.925641521156134d-2*gammabb*t15*t19*t20*t26-2.944231
491 2 ammaaa*t2*t26*t27*t6-9.814103802890335d-3*gammaaa*t13*t26
564 7 2*t26*t3*t6+3.6802889260838756d-3*t13*t26*t3+1.8401444630
573 1 2d-1*t1*(t26*t3*(2.708905315891122d-4*t12*t26*t3*t9+8.126
574 2 715947673364d-5*t26*t3*t6*t8+1.625343189534673d-4*t10*t26
[all …]
H A Dnwxcm_x_camrpbe.F176 t26 = 1/t10**3
246 t27 = 1.0d+0-t26
361 t26 = 1/t10**3
423 t26 = 1/t10**3
814 t27 = 1.0d+0-t26
1714 + *t16*t26*t29*t32
2108 t27 = 1.0d+0-t26
2418 + *t159*t160*t26-3.386130477833154d-2*gammabb*t127*t26
2444 + *t100*t172*t26-2.550431938149111d-4*gammabb*t101*t26
2754 + *t20*t26*t76+1.895706072196977d-2*t104*t20*t26*t58*t75
[all …]
H A Dnwxcm_x_m06_2x.F258 t26 = t9**6
438 8 120575993d+1*t26*t27*t28*t42+9.115599744691193d+1*t24*t26
519 8 120575993d+1*t26*t27*t28*t42+9.115599744691193d+1*t24*t26
778 3 *t29*t31-1.0d+1*t26*t27*t28-1.2d+1*t24*t26*t28-1.2d+1*t23
1025 t100 = -1.2d+1*t25*t26-1.4d+1*t22*t26
1058 4 *t26-1.4d+1*t22*t24*t26-1.4d+1*t21*t22*t23-1.6d+1*t19*t21
1103 1 +3*t21*t25*t26*t5-2.2620076536473846d+4*t21*t22*t26*t5+1.
1249 9 21*(1.96d+2*t22*t26+2.24d+2*t19*t26-1.4d+1*t100))*wght
1867 t59 = -1.2d+1*t25*t26-1.4d+1*t22*t26
3110 t59 = -1.2d+1*t25*t26-1.4d+1*t22*t26
[all …]
/dports/science/ergo/ergo-3.8/source/dft/
H A Dfun-pbec.c180 t26 = 1/POW(t1,4.0); in pbec_energy()
267 t26 = 1/(2.0*t17-2.0); in pbec_first()
289 t45 = t26*t28*t29*t35*t44; in pbec_first()
352 t94 = t26*t28*t29*t86*t44; in pbec_first()
506 t26 = 1/(2.0*t17-2.0); in pbec_second()
528 t45 = t26*t28*t29*t35*t44; in pbec_second()
687 t106*t26*t28*t29*t35; in pbec_second()
733 t26*t101*t31*t95*t38; in pbec_second()
924 t26*t30*t31*t95*t38+.0395035794051304*t26*t101*t31*t35*t38+ in pbec_second()
1041 t100*t26*t29*t35*t44+2.0*t132*t26*t28*t29*t44+.0395035794051304* in pbec_second()
[all …]

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